N-[3-[3-[(7S)-7-[[(3R,4R)-3-hydroxyoxan-4-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide

C34H38N6O6 — CID 167338603

About N-[3-[3-[(7S)-7-[[(3R,4R)-3-hydroxyoxan-4-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide

N-[3-[3-[(7S)-7-[[(3R,4R)-3-hydroxyoxan-4-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide (PubChem CID 167338603) has the molecular formula C34H38N6O6 and a molecular weight of 626.71 g/mol. Its IUPAC name is N-[3-[3-[(7S)-7-[[(3R,4R)-3-hydroxyoxan-4-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-[(7S)-7-[[(3R,4R)-3-hydroxyoxan-4-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
• PubChem CID: 167338603
• Molecular Formula: C34H38N6O6
• Molecular Weight: 626.71 g/mol
• Exact Mass: 626.29
• IUPAC Name: N-[3-[3-[(7S)-7-[[(3R,4R)-3-hydroxyoxan-4-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
• SMILES: COc1nc(-c2cccc(-c3cccc(NC(=O)c4nn(C)c(=O)n(C)c4=O)c3C)c2C)cc2c1[C@@H](N[C@@H]1CCOC[C@@H]1O)CC2
• InChI: InChI=1S/C34H38N6O6/c1-18-21(22-9-7-11-24(19(22)2)36-31(42)30-33(43)39(3)34(44)40(4)38-30)8-6-10-23(18)27-16-20-12-13-26(29(20)32(37-27)45-5)35-25-14-15-46-17-28(25)41/h6-11,16,25-26,28,35,41H,12-15,17H2,1-5H3,(H,36,42)/t25-,26+,28+/m1/s1
• InChIKey: CMOHFWAUUOBDCQ-PBWSGDRGSA-N
• XLogP: 2.81
• TPSA: 149.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.71
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(7S)-7-[[(3R,4R)-3-hydroxyoxan-4-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?

The IUPAC name of N-[3-[3-[(7S)-7-[[(3R,4R)-3-hydroxyoxan-4-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide (CID 167338603) is N-[3-[3-[(7S)-7-[[(3R,4R)-3-hydroxyoxan-4-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide.

What is the SMILES notation for N-[3-[3-[(7S)-7-[[(3R,4R)-3-hydroxyoxan-4-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?

The canonical SMILES for N-[3-[3-[(7S)-7-[[(3R,4R)-3-hydroxyoxan-4-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide is COc1nc(-c2cccc(-c3cccc(NC(=O)c4nn(C)c(=O)n(C)c4=O)c3C)c2C)cc2c1[C@@H](N[C@@H]1CCOC[C@@H]1O)CC2.

What is the InChIKey of N-[3-[3-[(7S)-7-[[(3R,4R)-3-hydroxyoxan-4-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?

The InChIKey is CMOHFWAUUOBDCQ-PBWSGDRGSA-N. The full InChI is InChI=1S/C34H38N6O6/c1-18-21(22-9-7-11-24(19(22)2)36-31(42)30-33(43)39(3)34(44)40(4)38-30)8-6-10-23(18)27-16-20-12-13-26(29(20)32(37-27)45-5)35-25-14-15-46-17-28(25)41/h6-11,16,25-26,28,35,41H,12-15,17H2,1-5H3,(H,36,42)/t25-,26+,28+/m1/s1.

What are the key properties of N-[3-[3-[(7S)-7-[[(3R,4R)-3-hydroxyoxan-4-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?

N-[3-[3-[(7S)-7-[[(3R,4R)-3-hydroxyoxan-4-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide has a molecular weight of 626.71 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[(7S)-7-[[(3R,4R)-3-hydroxyoxan-4-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 167338603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).