8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide;N-(4-fluorophenyl)pyrrole-1-carboxamide;3-(4-imidazol-1-ylphenyl)-N-phenylpyrazole-1-carboxamide

C50H50ClF4N11O4 — CID 143541898

IUPAC8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide;N-(4-fluorophenyl)pyrrole-1-carboxamide;3-(4-imidazol-1-ylphenyl)-N-phenylpyrazole-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCOC12CCN(c1ncc(C(F)(F)F)cc1Cl)CC2.O=C(Nc1ccc(F)cc1)n1cccc1.O=C(Nc1ccccc1)n1ccc(-c2ccc(-n3ccnc3)cc2)n1
InChIInChI=1S/C20H26ClF3N4O2.C19H15N5O.C11H9FN2O/c21-16-12-14(20(22,23)24)13-25-17(16)27-8-6-19(7-9-27)28(10-11-30-19)18(29)26-15-4-2-1-3-5-15;25-19(21-16-4-2-1-3-5-16)24-12-10-18(22-24)15-6-8-17(9-7-15)23-13-11-20-14-23;12-9-3-5-10(6-4-9)13-11(15)14-7-1-2-8-14/h12-13,15H,1-11H2,(H,26,29);1-14H,(H,21,25);1-8H,(H,13,15)
InChIKeyOBKKSVXUMHRJDT-UHFFFAOYSA-N
MW980.47 g/mol
LogP10.95
Rot. Bonds6

About 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide;N-(4-fluorophenyl)pyrrole-1-carboxamide;3-(4-imidazol-1-ylphenyl)-N-phenylpyrazole-1-carboxamide

8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide;N-(4-fluorophenyl)pyrrole-1-carboxamide;3-(4-imidazol-1-ylphenyl)-N-phenylpyrazole-1-carboxamide (PubChem CID 143541898) has the molecular formula C50H50ClF4N11O4 and a molecular weight of 980.47 g/mol. Its IUPAC name is 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide;N-(4-fluorophenyl)pyrrole-1-carboxamide;3-(4-imidazol-1-ylphenyl)-N-phenylpyrazole-1-carboxamide.

Molecular Properties

Compound Name8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide;N-(4-fluorophenyl)pyrrole-1-carboxamide;3-(4-imidazol-1-ylphenyl)-N-phenylpyrazole-1-carboxamide
PubChem CID143541898
Molecular FormulaC50H50ClF4N11O4
Molecular Weight980.47 g/mol
Exact Mass979.37
IUPAC Name8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide;N-(4-fluorophenyl)pyrrole-1-carboxamide;3-(4-imidazol-1-ylphenyl)-N-phenylpyrazole-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCOC12CCN(c1ncc(C(F)(F)F)cc1Cl)CC2.O=C(Nc1ccc(F)cc1)n1cccc1.O=C(Nc1ccccc1)n1ccc(-c2ccc(-n3ccnc3)cc2)n1
InChIInChI=1S/C20H26ClF3N4O2.C19H15N5O.C11H9FN2O/c21-16-12-14(20(22,23)24)13-25-17(16)27-8-6-19(7-9-27)28(10-11-30-19)18(29)26-15-4-2-1-3-5-15;25-19(21-16-4-2-1-3-5-16)24-12-10-18(22-24)15-6-8-17(9-7-15)23-13-11-20-14-23;12-9-3-5-10(6-4-9)13-11(15)14-7-1-2-8-14/h12-13,15H,1-11H2,(H,26,29);1-14H,(H,21,25);1-8H,(H,13,15)
InChIKeyOBKKSVXUMHRJDT-UHFFFAOYSA-N
XLogP10.95
TPSA156.47 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500980.47
LogP ≤ 510.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide;N-(4-fluorophenyl)pyrrole-1-carboxamide;3-(4-imidazol-1-ylphenyl)-N-phenylpyrazole-1-carboxamide with MolForge

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Related Compounds

N-[4-[3-(5-chloro-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(2-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(6-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 159449952
N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine
CID 162198015
3-[6-[5-Chloro-2-[[1-methyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]amino]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylbenzimidazol-2-yl]-1,3-oxazolidin-2-one
CID 176882830
(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-deuterio-4-methyl-5-propan-2-ylimidazolidin-2-one;(4R)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1-methylimidazolidin-2-one;(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 157139534
1-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(1,5-dimethylpyrazol-4-yl)-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-1-phenyl-3-(1-propan-2-ylpyrazol-4-yl)pyrazol-5-yl]urea;1-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(4-methyl-1-phenyl-3-pyrimidin-5-ylpyrazol-5-yl)urea
CID 157565317
1-[(3S,4R)-4-(3-chloro-5-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(4-methyl-1-phenyl-3-pyridin-2-ylpyrazol-5-yl)urea;1-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(4-methyl-1-phenyl-3-pyridin-3-ylpyrazol-5-yl)urea;1-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(4-methyl-1-phenyl-3-pyridin-4-ylpyrazol-5-yl)urea
CID 157706092
1-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methylimidazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[3-[2-(dimethylamino)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3S,4R)-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-(1-ethylpyrazol-4-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
CID 157744281
5-[4-[(3S)-3-aminopyrrolidin-1-yl]phenyl]-N-[(4-chloro-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[(4-chloro-2-fluorophenyl)methyl]-N-[5-[4-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;sulfane
CID 158570920
1-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(1,3-dimethylpyrazol-4-yl)-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(1,5-dimethylpyrazol-4-yl)-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(4-methyl-1-phenyl-3-pyrimidin-5-ylpyrazol-5-yl)urea
CID 158596519
1-[(3S,4R)-4-(3-chloro-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(3S,4R)-4-(3-chloro-5-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(3S,4R)-4-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(4-methyl-1-phenyl-3-pyridin-3-ylpyrazol-5-yl)urea
CID 158734779
(5R)-3-[4-[6-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-N-methyl-5,6-dihydro-1,2,4-triazine-1-carboxamide;hydrochloride
CID 158910185
1-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(1,3-dimethylpyrazol-4-yl)-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(1,5-dimethylpyrazol-4-yl)-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-1-phenyl-3-(1-propan-2-ylpyrazol-4-yl)pyrazol-5-yl]urea;1-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(4-methyl-1-phenyl-3-pyrimidin-5-ylpyrazol-5-yl)urea
CID 159487922

Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide;N-(4-fluorophenyl)pyrrole-1-carboxamide;3-(4-imidazol-1-ylphenyl)-N-phenylpyrazole-1-carboxamide?
The IUPAC name of 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide;N-(4-fluorophenyl)pyrrole-1-carboxamide;3-(4-imidazol-1-ylphenyl)-N-phenylpyrazole-1-carboxamide (CID 143541898) is 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide;N-(4-fluorophenyl)pyrrole-1-carboxamide;3-(4-imidazol-1-ylphenyl)-N-phenylpyrazole-1-carboxamide.
What is the SMILES notation for 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide;N-(4-fluorophenyl)pyrrole-1-carboxamide;3-(4-imidazol-1-ylphenyl)-N-phenylpyrazole-1-carboxamide?
The canonical SMILES for 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide;N-(4-fluorophenyl)pyrrole-1-carboxamide;3-(4-imidazol-1-ylphenyl)-N-phenylpyrazole-1-carboxamide is O=C(NC1CCCCC1)N1CCOC12CCN(c1ncc(C(F)(F)F)cc1Cl)CC2.O=C(Nc1ccc(F)cc1)n1cccc1.O=C(Nc1ccccc1)n1ccc(-c2ccc(-n3ccnc3)cc2)n1.
What is the InChIKey of 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide;N-(4-fluorophenyl)pyrrole-1-carboxamide;3-(4-imidazol-1-ylphenyl)-N-phenylpyrazole-1-carboxamide?
The InChIKey is OBKKSVXUMHRJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClF3N4O2.C19H15N5O.C11H9FN2O/c21-16-12-14(20(22,23)24)13-25-17(16)27-8-6-19(7-9-27)28(10-11-30-19)18(29)26-15-4-2-1-3-5-15;25-19(21-16-4-2-1-3-5-16)24-12-10-18(22-24)15-6-8-17(9-7-15)23-13-11-20-14-23;12-9-3-5-10(6-4-9)13-11(15)14-7-1-2-8-14/h12-13,15H,1-11H2,(H,26,29);1-14H,(H,21,25);1-8H,(H,13,15).
What are the key properties of 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide;N-(4-fluorophenyl)pyrrole-1-carboxamide;3-(4-imidazol-1-ylphenyl)-N-phenylpyrazole-1-carboxamide?
8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide;N-(4-fluorophenyl)pyrrole-1-carboxamide;3-(4-imidazol-1-ylphenyl)-N-phenylpyrazole-1-carboxamide has a molecular weight of 980.47 g/mol, XLogP of 10.95, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide;N-(4-fluorophenyl)pyrrole-1-carboxamide;3-(4-imidazol-1-ylphenyl)-N-phenylpyrazole-1-carboxamide is sourced from PubChem (CID 143541898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).