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

C34H37N5O6 — CID 167338521

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

N-[3-[3-[(7S)-7-[[(3R,4R)-4-hydroxyoxolan-3-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 167338521) has the molecular formula C34H37N5O6 and a molecular weight of 611.70 g/mol. Its IUPAC name is N-[3-[3-[(7S)-7-[[(3R,4R)-4-hydroxyoxolan-3-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-[(7S)-7-[[(3R,4R)-4-hydroxyoxolan-3-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
• PubChem CID: 167338521
• Molecular Formula: C34H37N5O6
• Molecular Weight: 611.70 g/mol
• Exact Mass: 611.27
• IUPAC Name: N-[3-[3-[(7S)-7-[[(3R,4R)-4-hydroxyoxolan-3-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
• SMILES: COc1nc(-c2cccc(-c3cccc(NC(=O)c4cn(C)c(=O)n(C)c4=O)c3C)c2C)cc2c1[C@@H](N[C@@H]1COC[C@@H]1O)CC2
• InChI: InChI=1S/C34H37N5O6/c1-18-21(22-9-7-11-25(19(22)2)36-31(41)24-15-38(3)34(43)39(4)33(24)42)8-6-10-23(18)27-14-20-12-13-26(30(20)32(37-27)44-5)35-28-16-45-17-29(28)40/h6-11,14-15,26,28-29,35,40H,12-13,16-17H2,1-5H3,(H,36,41)/t26-,28+,29-/m0/s1
• InChIKey: QHAXEEYBVLIXCC-MKYKQAKUSA-N
• XLogP: 3.03
• TPSA: 136.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	611.70
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[3-[3-[(7S)-7-[[(3R,4R)-4-hydroxyoxolan-3-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (CID 167338521) is N-[3-[3-[(7S)-7-[[(3R,4R)-4-hydroxyoxolan-3-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.

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

The canonical SMILES for N-[3-[3-[(7S)-7-[[(3R,4R)-4-hydroxyoxolan-3-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is COc1nc(-c2cccc(-c3cccc(NC(=O)c4cn(C)c(=O)n(C)c4=O)c3C)c2C)cc2c1[C@@H](N[C@@H]1COC[C@@H]1O)CC2.

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

The InChIKey is QHAXEEYBVLIXCC-MKYKQAKUSA-N. The full InChI is InChI=1S/C34H37N5O6/c1-18-21(22-9-7-11-25(19(22)2)36-31(41)24-15-38(3)34(43)39(4)33(24)42)8-6-10-23(18)27-14-20-12-13-26(30(20)32(37-27)44-5)35-28-16-45-17-29(28)40/h6-11,14-15,26,28-29,35,40H,12-13,16-17H2,1-5H3,(H,36,41)/t26-,28+,29-/m0/s1.

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

N-[3-[3-[(7S)-7-[[(3R,4R)-4-hydroxyoxolan-3-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 611.70 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[(7S)-7-[[(3R,4R)-4-hydroxyoxolan-3-yl]amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 167338521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).