N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

C24H29FN6O3 — CID 162362202

IUPACN-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1noc(C)c1-c1cnc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCCCCC2)c(F)c1
InChIInChI=1S/C24H29FN6O3/c1-14-20(15(2)34-30-14)17-12-18(25)22(26-13-17)29-24(33)21(16-8-6-4-5-7-9-16)28-23(32)19-10-11-27-31(19)3/h10-13,16,21H,4-9H2,1-3H3,(H,28,32)(H,26,29,33)/t21-/m0/s1
InChIKeyCBOAOWUFJOMDMU-NRFANRHFSA-N
MW468.53 g/mol
LogP3.93
Rot. Bonds6

About N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 162362202) has the molecular formula C24H29FN6O3 and a molecular weight of 468.53 g/mol. Its IUPAC name is N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
PubChem CID162362202
Molecular FormulaC24H29FN6O3
Molecular Weight468.53 g/mol
Exact Mass468.23
IUPAC NameN-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1noc(C)c1-c1cnc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCCCCC2)c(F)c1
InChIInChI=1S/C24H29FN6O3/c1-14-20(15(2)34-30-14)17-12-18(25)22(26-13-17)29-24(33)21(16-8-6-4-5-7-9-16)28-23(32)19-10-11-27-31(19)3/h10-13,16,21H,4-9H2,1-3H3,(H,28,32)(H,26,29,33)/t21-/m0/s1
InChIKeyCBOAOWUFJOMDMU-NRFANRHFSA-N
XLogP3.93
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyltriazole-4-carboxamide
CID 168846703
[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]amino]-2-oxoethyl] N-tert-butylcarbamate
CID 175449389
N-[1-cycloheptyl-2-oxo-2-[[5-(1,2,4-trimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide
CID 168846669
N-[1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362258
N-[(1S)-1-cycloheptyl-2-[[5-(3-cyclopropyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 162362316
N-[1-cycloheptyl-2-[[5-(3-ethyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 168846617
N-[(1S)-1-cyclohexyl-2-[3-fluoro-4-(2-methyl-1-oxidopyridin-1-ium-3-yl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 164514321
N-[1-cyclohexyl-2-[3-fluoro-4-(4-methyl-1-oxidopyridin-1-ium-3-yl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 170425401
N-[2-[4-(4-chloro-2-methyl-1-oxidopyridin-1-ium-3-yl)-2,5-difluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 170425286
N-[(1S)-1-cyclohexyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 162362366
N-[(1S)-1-cyclohexyl-2-[4-(2,5-dimethyl-1-oxidopyridin-1-ium-3-yl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 163275751
N-[1-cycloheptyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 167148835

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 162362202) is N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is Cc1noc(C)c1-c1cnc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCCCCC2)c(F)c1.
What is the InChIKey of N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is CBOAOWUFJOMDMU-NRFANRHFSA-N. The full InChI is InChI=1S/C24H29FN6O3/c1-14-20(15(2)34-30-14)17-12-18(25)22(26-13-17)29-24(33)21(16-8-6-4-5-7-9-16)28-23(32)19-10-11-27-31(19)3/h10-13,16,21H,4-9H2,1-3H3,(H,28,32)(H,26,29,33)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 468.53 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 162362202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).