3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide

C152H173F3N48O12 — CID 160964701

IUPAC3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILES[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccn(C(F)(F)F)n3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccn(C)n3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3cccn3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3ccnc3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3cncn3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C26H27F3N8O2.C26H30N8O2.C26H33N7O2.2C25H28N8O2.C24H27N9O2/c1-31-16-25(37-15-20(22(30)38)23(34-37)32-24(39)19-6-7-19)9-12-35(13-10-25)14-17-2-4-18(5-3-17)21-8-11-36(33-21)26(27,28)29;1-28-17-26(34-16-21(23(27)35)24(31-34)29-25(36)20-7-8-20)10-13-33(14-11-26)15-18-3-5-19(6-4-18)22-9-12-32(2)30-22;1-28-18-26(33-17-22(23(27)34)24(30-33)29-25(35)20-6-7-20)10-14-31(15-11-26)16-19-4-8-21(9-5-19)32-12-2-3-13-32;1-27-17-25(33-16-21(22(26)34)23(30-33)29-24(35)19-5-6-19)9-13-31(14-10-25)15-18-3-7-20(8-4-18)32-12-2-11-28-32;1-27-16-25(33-15-21(22(26)34)23(30-33)29-24(35)19-4-5-19)8-11-31(12-9-25)14-18-2-6-20(7-3-18)32-13-10-28-17-32;1-26-14-24(33-13-20(21(25)34)22(30-33)29-23(35)18-4-5-18)8-10-31(11-9-24)12-17-2-6-19(7-3-17)32-16-27-15-28-32/h2-5,8,11,15,19H,6-7,9-10,12-14,16H2,(H2,30,38)(H,32,34,39);3-6,9,12,16,20H,7-8,10-11,13-15,17H2,2H3,(H2,27,35)(H,29,31,36);4-5,8-9,17,20H,2-3,6-7,10-16,18H2,(H2,27,34)(H,29,30,35);2-4,7-8,11-12,16,19H,5-6,9-10,13-15,17H2,(H2,26,34)(H,29,30,35);2-3,6-7,10,13,15,17,19H,4-5,8-9,11-12,14,16H2,(H2,26,34)(H,29,30,35);2-3,6-7,13,15-16,18H,4-5,8-12,14H2,(H2,25,34)(H,29,30,35)
InChIKeySXLRBSZYQBJMNN-UHFFFAOYSA-N
MW2921.37 g/mol
LogP15.74
Rot. Bonds48

About 3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide

3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 160964701) has the molecular formula C152H173F3N48O12 and a molecular weight of 2921.37 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID160964701
Molecular FormulaC152H173F3N48O12
Molecular Weight2921.37 g/mol
Exact Mass2919.44
IUPAC Name3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILES[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccn(C(F)(F)F)n3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccn(C)n3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3cccn3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3ccnc3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3cncn3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C26H27F3N8O2.C26H30N8O2.C26H33N7O2.2C25H28N8O2.C24H27N9O2/c1-31-16-25(37-15-20(22(30)38)23(34-37)32-24(39)19-6-7-19)9-12-35(13-10-25)14-17-2-4-18(5-3-17)21-8-11-36(33-21)26(27,28)29;1-28-17-26(34-16-21(23(27)35)24(31-34)29-25(36)20-7-8-20)10-13-33(14-11-26)15-18-3-5-19(6-4-18)22-9-12-32(2)30-22;1-28-18-26(33-17-22(23(27)34)24(30-33)29-25(35)20-6-7-20)10-14-31(15-11-26)16-19-4-8-21(9-5-19)32-12-2-3-13-32;1-27-17-25(33-16-21(22(26)34)23(30-33)29-24(35)19-5-6-19)9-13-31(14-10-25)15-18-3-7-20(8-4-18)32-12-2-11-28-32;1-27-16-25(33-15-21(22(26)34)23(30-33)29-24(35)19-4-5-19)8-11-31(12-9-25)14-18-2-6-20(7-3-18)32-13-10-28-17-32;1-26-14-24(33-13-20(21(25)34)22(30-33)29-23(35)18-4-5-18)8-10-31(11-9-24)12-17-2-6-19(7-3-17)32-16-27-15-28-32/h2-5,8,11,15,19H,6-7,9-10,12-14,16H2,(H2,30,38)(H,32,34,39);3-6,9,12,16,20H,7-8,10-11,13-15,17H2,2H3,(H2,27,35)(H,29,31,36);4-5,8-9,17,20H,2-3,6-7,10-16,18H2,(H2,27,34)(H,29,30,35);2-4,7-8,11-12,16,19H,5-6,9-10,13-15,17H2,(H2,26,34)(H,29,30,35);2-3,6-7,10,13,15,17,19H,4-5,8-9,11-12,14,16H2,(H2,26,34)(H,29,30,35);2-3,6-7,13,15-16,18H,4-5,8-12,14H2,(H2,25,34)(H,29,30,35)
InChIKeySXLRBSZYQBJMNN-UHFFFAOYSA-N
XLogP15.74
TPSA690.89 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds48
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002921.37
LogP ≤ 515.74
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-(3-fluoropyrrolidin-1-yl)-1-[2-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123839257
N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-1-[[2-[[6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]methyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 145564679
5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-ylpyrimidin-4-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[5-[(5-ethyl-1H-pyrazol-3-yl)amino]-1,2,4-triazin-3-yl]-1,2-dihydroindazol-3-one;5-[5-[(5-methyl-1H-pyrazol-3-yl)amino]pyridazin-3-yl]-1,2-dihydroindazol-3-one
CID 157078504
7-[[4-[3-(1-acetylazetidin-3-yl)-5-(trifluoromethyl)-1H-imidazol-3-ium-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylazetidin-3-yl)-5-(trifluoromethyl)-1H-imidazol-3-ium-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-4-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-fluoro-6-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-fluoro-1-(2-methylpropanoyl)piperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157090055
CID 157103917
CID 157103917
5-Anilino-6-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-methyl-1-(2-methylpropyl)-4-sulfanylidenepyrrolo[3,4-d]pyrimidin-2-one;5-anilino-1-(2,2-dimethylpropyl)-3-methyl-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-6-[(6-methyl-3-pyridinyl)methyl]-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 157123224
N-benzyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-cyclohexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(3,3-diphenylpropyl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-hexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(3-phenylpropyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 157141744
7-[2-(Dimethylamino)ethyl]-2-(2-propan-2-ylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-8-one;9-[[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;methane;7-methyl-9-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]cyclopropyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
CID 157334695
5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;3-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-fluoro-6-methyl-N-(4-methylphenyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(5-fluoro-3-pyridinyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 157356270
(11R,15S)-5-anilino-4-[[4-[5-(1,1-difluoroethyl)-2-pyridinyl]phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-3-[[4-(3-fluoro-2-pyridinyl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[[4-(3-methyl-2-pyridinyl)phenyl]methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[[4-(4-methyl-2-pyridinyl)phenyl]methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;methane
CID 157359249
4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;[4-[8-tert-butyl-6-(3-fluoro-4-methylphenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[8-tert-butyl-6-(3-fluoro-4-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone
CID 157445675
1-[1-(cyclopropylmethyl)-3-[2-fluoro-3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-fluoro-3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 157450309

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide (CID 160964701) is 3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide is [C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccn(C(F)(F)F)n3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccn(C)n3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3cccn3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3ccnc3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-n3cncn3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(N3CCCC3)cc2)CC1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is SXLRBSZYQBJMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N8O2.C26H30N8O2.C26H33N7O2.2C25H28N8O2.C24H27N9O2/c1-31-16-25(37-15-20(22(30)38)23(34-37)32-24(39)19-6-7-19)9-12-35(13-10-25)14-17-2-4-18(5-3-17)21-8-11-36(33-21)26(27,28)29;1-28-17-26(34-16-21(23(27)35)24(31-34)29-25(36)20-7-8-20)10-13-33(14-11-26)15-18-3-5-19(6-4-18)22-9-12-32(2)30-22;1-28-18-26(33-17-22(23(27)34)24(30-33)29-25(35)20-6-7-20)10-14-31(15-11-26)16-19-4-8-21(9-5-19)32-12-2-3-13-32;1-27-17-25(33-16-21(22(26)34)23(30-33)29-24(35)19-5-6-19)9-13-31(14-10-25)15-18-3-7-20(8-4-18)32-12-2-11-28-32;1-27-16-25(33-15-21(22(26)34)23(30-33)29-24(35)19-4-5-19)8-11-31(12-9-25)14-18-2-6-20(7-3-18)32-13-10-28-17-32;1-26-14-24(33-13-20(21(25)34)22(30-33)29-23(35)18-4-5-18)8-10-31(11-9-24)12-17-2-6-19(7-3-17)32-16-27-15-28-32/h2-5,8,11,15,19H,6-7,9-10,12-14,16H2,(H2,30,38)(H,32,34,39);3-6,9,12,16,20H,7-8,10-11,13-15,17H2,2H3,(H2,27,35)(H,29,31,36);4-5,8-9,17,20H,2-3,6-7,10-16,18H2,(H2,27,34)(H,29,30,35);2-4,7-8,11-12,16,19H,5-6,9-10,13-15,17H2,(H2,26,34)(H,29,30,35);2-3,6-7,10,13,15,17,19H,4-5,8-9,11-12,14,16H2,(H2,26,34)(H,29,30,35);2-3,6-7,13,15-16,18H,4-5,8-12,14H2,(H2,25,34)(H,29,30,35).
What are the key properties of 3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide?
3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 2921.37 g/mol, XLogP of 15.74, 48 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-1-[1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 160964701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).