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

C26H32N6O3 — CID 162362366

IUPACN-[(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
SMILESCc1noc(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccc3n2CCNC3)C2CCCCC2)nc1
InChIInChI=1S/C26H32N6O3/c1-16-23(17(2)35-31-16)19-8-11-22(28-14-19)29-26(34)24(18-6-4-3-5-7-18)30-25(33)21-10-9-20-15-27-12-13-32(20)21/h8-11,14,18,24,27H,3-7,12-13,15H2,1-2H3,(H,30,33)(H,28,29,34)/t24-/m0/s1
InChIKeyIMAFMUOKHUQCQI-DEOSSOPVSA-N
MW476.58 g/mol
LogP3.58
Rot. Bonds6

About 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

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 (PubChem CID 162362366) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID162362366
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC NameN-[(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
SMILESCc1noc(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccc3n2CCNC3)C2CCCCC2)nc1
InChIInChI=1S/C26H32N6O3/c1-16-23(17(2)35-31-16)19-8-11-22(28-14-19)29-26(34)24(18-6-4-3-5-7-18)30-25(33)21-10-9-20-15-27-12-13-32(20)21/h8-11,14,18,24,27H,3-7,12-13,15H2,1-2H3,(H,30,33)(H,28,29,34)/t24-/m0/s1
InChIKeyIMAFMUOKHUQCQI-DEOSSOPVSA-N
XLogP3.58
TPSA114.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 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
N-[1-cycloheptyl-2-[4-(2,4-dimethyl-3-pyridinyl)anilino]-2-oxoethyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 170425451
N-[1-(4,4-difluorocyclohexyl)-2-[4-(2,4-dimethyl-3-pyridinyl)anilino]-2-oxoethyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 170425387
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
2-amino-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide
CID 168846568
N-[(1S)-2-[4-(4-chloro-2-methyl-1-oxidopyridin-1-ium-3-yl)-3-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 163275691
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-[(1S)-1-cycloheptyl-2-[[5-(3-cyclopropyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 162362316
N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362456
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-[(1S,5S)-3-bicyclo[3.1.0]hexanyl]-2-[4-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)anilino]-2-oxoethyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 164514418
N-[1-cycloheptyl-2-[[5-(3-ethyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 168846617

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccc3n2CCNC3)C2CCCCC2)nc1.
What is the InChIKey of 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?
The InChIKey is IMAFMUOKHUQCQI-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-16-23(17(2)35-31-16)19-8-11-22(28-14-19)29-26(34)24(18-6-4-3-5-7-18)30-25(33)21-10-9-20-15-27-12-13-32(20)21/h8-11,14,18,24,27H,3-7,12-13,15H2,1-2H3,(H,30,33)(H,28,29,34)/t24-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 476.58 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162362366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).