bis(1-[4-(2-azaspiro[3.3]heptan-2-yl)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(1-[4-(benzylamino)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-(3,3-dimethylazetidin-1-yl)-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(2-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(3-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-(oxan-4-ylamino)cyclohexyl]pyrazole-4-carboxamide)

C266H344F4N72O26 — CID 160909868

IUPACbis(1-[4-(2-azaspiro[3.3]heptan-2-yl)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(1-[4-(benzylamino)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-(3,3-dimethylazetidin-1-yl)-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(2-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(3-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-(oxan-4-ylamino)cyclohexyl]pyrazole-4-carboxamide)
SMILES[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N2CC(C)(C)C2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N2CC(C)(C)C2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N2CC3(CCC3)C2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N2CC3(CCC3)C2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NC2CCOCC2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NC2CCOCC2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2cccc(F)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2cccc(F)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccccc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccccc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccccc2F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccccc2F)CC1
InChIInChI=1S/4C23H27FN6O2.2C23H28N6O2.2C22H30N6O2.2C21H30N6O3.2C21H30N6O2/c2*1-26-14-23(9-7-18(8-10-23)27-12-15-3-2-4-17(24)11-15)30-13-19(20(25)31)21(29-30)28-22(32)16-5-6-16;2*1-26-14-23(10-8-17(9-11-23)27-12-16-4-2-3-5-19(16)24)30-13-18(20(25)31)21(29-30)28-22(32)15-6-7-15;2*1-25-15-23(11-9-18(10-12-23)26-13-16-5-3-2-4-6-16)29-14-19(20(24)30)21(28-29)27-22(31)17-7-8-17;2*1-24-12-22(9-5-16(6-10-22)27-13-21(14-27)7-2-8-21)28-11-17(18(23)29)19(26-28)25-20(30)15-3-4-15;2*1-23-13-21(8-4-15(5-9-21)24-16-6-10-30-11-7-16)27-12-17(18(22)28)19(26-27)25-20(29)14-2-3-14;2*1-20(2)12-26(13-20)15-6-8-21(9-7-15,11-23-3)27-10-16(17(22)28)18(25-27)24-19(29)14-4-5-14/h2*2-4,11,13,16,18,27H,5-10,12,14H2,(H2,25,31)(H,28,29,32);2*2-5,13,15,17,27H,6-12,14H2,(H2,25,31)(H,28,29,32);2*2-6,14,17-18,26H,7-13,15H2,(H2,24,30)(H,27,28,31);2*11,15-16H,2-10,12-14H2,(H2,23,29)(H,25,26,30);2*12,14-16,24H,2-11,13H2,(H2,22,28)(H,25,26,29);2*10,14-15H,4-9,11-13H2,1-2H3,(H2,22,28)(H,24,25,29)
InChIKeySQQCCFBIVNJBOU-UHFFFAOYSA-N
MW5042.15 g/mol
LogP29.14
Rot. Bonds86

About bis(1-[4-(2-azaspiro[3.3]heptan-2-yl)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(1-[4-(benzylamino)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-(3,3-dimethylazetidin-1-yl)-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(2-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(3-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-(oxan-4-ylamino)cyclohexyl]pyrazole-4-carboxamide)

bis(1-[4-(2-azaspiro[3.3]heptan-2-yl)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(1-[4-(benzylamino)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-(3,3-dimethylazetidin-1-yl)-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(2-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(3-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-(oxan-4-ylamino)cyclohexyl]pyrazole-4-carboxamide) (PubChem CID 160909868) has the molecular formula C266H344F4N72O26 and a molecular weight of 5042.15 g/mol. Its IUPAC name is bis(1-[4-(2-azaspiro[3.3]heptan-2-yl)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(1-[4-(benzylamino)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-(3,3-dimethylazetidin-1-yl)-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(2-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(3-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-(oxan-4-ylamino)cyclohexyl]pyrazole-4-carboxamide).

Molecular Properties

Compound Namebis(1-[4-(2-azaspiro[3.3]heptan-2-yl)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(1-[4-(benzylamino)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-(3,3-dimethylazetidin-1-yl)-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(2-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(3-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-(oxan-4-ylamino)cyclohexyl]pyrazole-4-carboxamide)
PubChem CID160909868
Molecular FormulaC266H344F4N72O26
Molecular Weight5042.15 g/mol
Exact Mass5038.77
IUPAC Namebis(1-[4-(2-azaspiro[3.3]heptan-2-yl)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(1-[4-(benzylamino)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-(3,3-dimethylazetidin-1-yl)-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(2-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(3-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-(oxan-4-ylamino)cyclohexyl]pyrazole-4-carboxamide)
SMILES[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N2CC(C)(C)C2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N2CC(C)(C)C2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N2CC3(CCC3)C2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N2CC3(CCC3)C2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NC2CCOCC2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NC2CCOCC2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2cccc(F)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2cccc(F)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccccc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccccc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccccc2F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccccc2F)CC1
InChIInChI=1S/4C23H27FN6O2.2C23H28N6O2.2C22H30N6O2.2C21H30N6O3.2C21H30N6O2/c2*1-26-14-23(9-7-18(8-10-23)27-12-15-3-2-4-17(24)11-15)30-13-19(20(25)31)21(29-30)28-22(32)16-5-6-16;2*1-26-14-23(10-8-17(9-11-23)27-12-16-4-2-3-5-19(16)24)30-13-18(20(25)31)21(29-30)28-22(32)15-6-7-15;2*1-25-15-23(11-9-18(10-12-23)26-13-16-5-3-2-4-6-16)29-14-19(20(24)30)21(28-29)27-22(31)17-7-8-17;2*1-24-12-22(9-5-16(6-10-22)27-13-21(14-27)7-2-8-21)28-11-17(18(23)29)19(26-28)25-20(30)15-3-4-15;2*1-23-13-21(8-4-15(5-9-21)24-16-6-10-30-11-7-16)27-12-17(18(22)28)19(26-27)25-20(29)14-2-3-14;2*1-20(2)12-26(13-20)15-6-8-21(9-7-15,11-23-3)27-10-16(17(22)28)18(25-27)24-19(29)14-4-5-14/h2*2-4,11,13,16,18,27H,5-10,12,14H2,(H2,25,31)(H,28,29,32);2*2-5,13,15,17,27H,6-12,14H2,(H2,25,31)(H,28,29,32);2*2-6,14,17-18,26H,7-13,15H2,(H2,24,30)(H,27,28,31);2*11,15-16H,2-10,12-14H2,(H2,23,29)(H,25,26,30);2*12,14-16,24H,2-11,13H2,(H2,22,28)(H,25,26,29);2*10,14-15H,4-9,11-13H2,1-2H3,(H2,22,28)(H,24,25,29)
InChIKeySQQCCFBIVNJBOU-UHFFFAOYSA-N
XLogP29.14
TPSA1260.10 Ų
H-Bond Donors32
H-Bond Acceptors62
Rotatable Bonds86
Heavy Atoms368
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005042.15
LogP ≤ 529.14
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1062

Analyze bis(1-[4-(2-azaspiro[3.3]heptan-2-yl)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(1-[4-(benzylamino)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-(3,3-dimethylazetidin-1-yl)-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(2-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(3-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-(oxan-4-ylamino)cyclohexyl]pyrazole-4-carboxamide) with MolForge

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Related Compounds

1-[7-(cyanomethyl)-2-oxaspiro[3.5]nonan-7-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-3-yl]carbamate
CID 157333302
Bis(1-[1-(cyanomethyl)-4-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);1-[1-(cyanomethyl)-4-[3-phenylmethoxy-3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;bis(3-(cyclopropanecarbonylamino)-1-[4-[ethyl(methyl)amino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide)
CID 159515684
Bis(3-(cyclopropanecarbonylamino)-1-[4-[ethyl(methyl)amino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]pyrazole-4-carboxamide);3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]pyrazole-4-carboxamide
CID 160007465
Bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-[3-phenylmethoxy-3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-[3-propan-2-yloxy-3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]pyrazole-4-carboxamide)
CID 160732698
1-[1-(Cyanomethyl)-4-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;bis(3-(cyclopropanecarbonylamino)-1-[4-[ethyl(methyl)amino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]pyrazole-4-carboxamide
CID 160838483
Bis(1-[1-(cyanomethyl)-4-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(1-[1-(cyanomethyl)-4-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(1-[1-(cyanomethyl)-4-[3-phenylmethoxy-3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(1-[1-(cyanomethyl)-4-[3-propan-2-yloxy-3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[ethyl(methyl)amino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]pyrazole-4-carboxamide)
CID 161205985
1-[1-(cyanomethyl)-4-[3-ethoxy-3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[7-(cyanomethyl)-2-oxaspiro[3.5]nonan-7-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;bis(1-[1-(cyanomethyl)-4-[3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-3-yl]carbamate
CID 161578561
Bis(1-[4-(benzylamino)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(2-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(3-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide)
CID 157528363
Bis(1-[4-(2-azaspiro[3.3]heptan-2-yl)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(1-[4-(benzylamino)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(2-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);3-(cyclopropanecarbonylamino)-1-[4-[(3-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide
CID 159662491
1-[4-[(2-Chlorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;bis(3-(cyclopropanecarbonylamino)-1-[4-[(3-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(4-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide)
CID 160226120
Bis(1-[4-(2-azaspiro[3.3]heptan-2-yl)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(1-[4-(benzylamino)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(2-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide)
CID 160741558

Frequently Asked Questions

What is the IUPAC name of bis(1-[4-(2-azaspiro[3.3]heptan-2-yl)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(1-[4-(benzylamino)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-(3,3-dimethylazetidin-1-yl)-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(2-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(3-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-(oxan-4-ylamino)cyclohexyl]pyrazole-4-carboxamide)?
The IUPAC name of bis(1-[4-(2-azaspiro[3.3]heptan-2-yl)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(1-[4-(benzylamino)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-(3,3-dimethylazetidin-1-yl)-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(2-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(3-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-(oxan-4-ylamino)cyclohexyl]pyrazole-4-carboxamide) (CID 160909868) is bis(1-[4-(2-azaspiro[3.3]heptan-2-yl)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(1-[4-(benzylamino)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-(3,3-dimethylazetidin-1-yl)-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(2-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(3-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-(oxan-4-ylamino)cyclohexyl]pyrazole-4-carboxamide).
What is the SMILES notation for bis(1-[4-(2-azaspiro[3.3]heptan-2-yl)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(1-[4-(benzylamino)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-(3,3-dimethylazetidin-1-yl)-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(2-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(3-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-(oxan-4-ylamino)cyclohexyl]pyrazole-4-carboxamide)?
The canonical SMILES for bis(1-[4-(2-azaspiro[3.3]heptan-2-yl)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(1-[4-(benzylamino)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-(3,3-dimethylazetidin-1-yl)-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(2-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(3-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-(oxan-4-ylamino)cyclohexyl]pyrazole-4-carboxamide) is [C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N2CC(C)(C)C2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N2CC(C)(C)C2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N2CC3(CCC3)C2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N2CC3(CCC3)C2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NC2CCOCC2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NC2CCOCC2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2cccc(F)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2cccc(F)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccccc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccccc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccccc2F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccccc2F)CC1.
What is the InChIKey of bis(1-[4-(2-azaspiro[3.3]heptan-2-yl)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(1-[4-(benzylamino)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-(3,3-dimethylazetidin-1-yl)-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(2-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(3-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-(oxan-4-ylamino)cyclohexyl]pyrazole-4-carboxamide)?
The InChIKey is SQQCCFBIVNJBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C23H27FN6O2.2C23H28N6O2.2C22H30N6O2.2C21H30N6O3.2C21H30N6O2/c2*1-26-14-23(9-7-18(8-10-23)27-12-15-3-2-4-17(24)11-15)30-13-19(20(25)31)21(29-30)28-22(32)16-5-6-16;2*1-26-14-23(10-8-17(9-11-23)27-12-16-4-2-3-5-19(16)24)30-13-18(20(25)31)21(29-30)28-22(32)15-6-7-15;2*1-25-15-23(11-9-18(10-12-23)26-13-16-5-3-2-4-6-16)29-14-19(20(24)30)21(28-29)27-22(31)17-7-8-17;2*1-24-12-22(9-5-16(6-10-22)27-13-21(14-27)7-2-8-21)28-11-17(18(23)29)19(26-28)25-20(30)15-3-4-15;2*1-23-13-21(8-4-15(5-9-21)24-16-6-10-30-11-7-16)27-12-17(18(22)28)19(26-27)25-20(29)14-2-3-14;2*1-20(2)12-26(13-20)15-6-8-21(9-7-15,11-23-3)27-10-16(17(22)28)18(25-27)24-19(29)14-4-5-14/h2*2-4,11,13,16,18,27H,5-10,12,14H2,(H2,25,31)(H,28,29,32);2*2-5,13,15,17,27H,6-12,14H2,(H2,25,31)(H,28,29,32);2*2-6,14,17-18,26H,7-13,15H2,(H2,24,30)(H,27,28,31);2*11,15-16H,2-10,12-14H2,(H2,23,29)(H,25,26,30);2*12,14-16,24H,2-11,13H2,(H2,22,28)(H,25,26,29);2*10,14-15H,4-9,11-13H2,1-2H3,(H2,22,28)(H,24,25,29).
What are the key properties of bis(1-[4-(2-azaspiro[3.3]heptan-2-yl)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(1-[4-(benzylamino)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-(3,3-dimethylazetidin-1-yl)-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(2-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(3-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-(oxan-4-ylamino)cyclohexyl]pyrazole-4-carboxamide)?
bis(1-[4-(2-azaspiro[3.3]heptan-2-yl)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(1-[4-(benzylamino)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-(3,3-dimethylazetidin-1-yl)-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(2-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(3-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-(oxan-4-ylamino)cyclohexyl]pyrazole-4-carboxamide) has a molecular weight of 5042.15 g/mol, XLogP of 29.14, 86 rotatable bonds, 32 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[4-(2-azaspiro[3.3]heptan-2-yl)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(1-[4-(benzylamino)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-(3,3-dimethylazetidin-1-yl)-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(2-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(3-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-(oxan-4-ylamino)cyclohexyl]pyrazole-4-carboxamide) is sourced from PubChem (CID 160909868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).