3-tert-butyl-N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide

C27H36N6O3 — CID 162362243

IUPAC3-tert-butyl-N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide
SMILESCc1cnn(C)c1-c1ccc(NC(=O)C(NC(=O)c2conc2C(C)(C)C)C2CCC(C)CC2)nc1
InChIInChI=1S/C27H36N6O3/c1-16-7-9-18(10-8-16)22(31-25(34)20-15-36-32-24(20)27(3,4)5)26(35)30-21-12-11-19(14-28-21)23-17(2)13-29-33(23)6/h11-16,18,22H,7-10H2,1-6H3,(H,31,34)(H,28,30,35)
InChIKeyFAHPAEDBVLBYQF-UHFFFAOYSA-N
MW492.62 g/mol
LogP4.64
Rot. Bonds6

About 3-tert-butyl-N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide

3-tert-butyl-N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide (PubChem CID 162362243) has the molecular formula C27H36N6O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is 3-tert-butyl-N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide
PubChem CID162362243
Molecular FormulaC27H36N6O3
Molecular Weight492.62 g/mol
Exact Mass492.28
IUPAC Name3-tert-butyl-N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide
SMILESCc1cnn(C)c1-c1ccc(NC(=O)C(NC(=O)c2conc2C(C)(C)C)C2CCC(C)CC2)nc1
InChIInChI=1S/C27H36N6O3/c1-16-7-9-18(10-8-16)22(31-25(34)20-15-36-32-24(20)27(3,4)5)26(35)30-21-12-11-19(14-28-21)23-17(2)13-29-33(23)6/h11-16,18,22H,7-10H2,1-6H3,(H,31,34)(H,28,30,35)
InChIKeyFAHPAEDBVLBYQF-UHFFFAOYSA-N
XLogP4.64
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 162362278
N-[2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide
CID 162362323
N-[2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyltriazole-4-carboxamide
CID 162362423
tert-butyl N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]carbamate
CID 175852947
N-[(1S)-1-cycloheptyl-2-[4-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]phenyl]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 175449327
tert-butyl N-[(1S)-2-[[2-(1,4-dimethylpyrazol-5-yl)pyrimidin-5-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]carbamate
CID 175853056
N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362487
N-[(1S)-2-[[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362491
2-amino-N-[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide
CID 168846549
tert-butyl N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-(5-methylpyrimidin-4-yl)-2-pyridinyl]amino]-2-oxoethyl]carbamate
CID 175852919
3-[(1S)-1-(4-methylcyclohexyl)-2-[[5-(5-methylpyrimidin-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-1,2-oxazole-4-carboxamide
CID 168846625
N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362456

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-tert-butyl-N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide (CID 162362243) is 3-tert-butyl-N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide is Cc1cnn(C)c1-c1ccc(NC(=O)C(NC(=O)c2conc2C(C)(C)C)C2CCC(C)CC2)nc1.
What is the InChIKey of 3-tert-butyl-N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is FAHPAEDBVLBYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O3/c1-16-7-9-18(10-8-16)22(31-25(34)20-15-36-32-24(20)27(3,4)5)26(35)30-21-12-11-19(14-28-21)23-17(2)13-29-33(23)6/h11-16,18,22H,7-10H2,1-6H3,(H,31,34)(H,28,30,35).
What are the key properties of 3-tert-butyl-N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide?
3-tert-butyl-N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 492.62 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 162362243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).