1-[(2S)-2-hydroxypropyl]-N-[3-[3-[(7S)-1-methoxy-7-[(5S)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide

C39H45N7O6 — CID 177340923

About 1-[(2S)-2-hydroxypropyl]-N-[3-[3-[(7S)-1-methoxy-7-[(5S)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide

1-[(2S)-2-hydroxypropyl]-N-[3-[3-[(7S)-1-methoxy-7-[(5S)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 177340923) has the molecular formula C39H45N7O6 and a molecular weight of 707.83 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxypropyl]-N-[3-[3-[(7S)-1-methoxy-7-[(5S)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 1-[(2S)-2-hydroxypropyl]-N-[3-[3-[(7S)-1-methoxy-7-[(5S)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide
• PubChem CID: 177340923
• Molecular Formula: C39H45N7O6
• Molecular Weight: 707.83 g/mol
• Exact Mass: 707.34
• IUPAC Name: 1-[(2S)-2-hydroxypropyl]-N-[3-[3-[(7S)-1-methoxy-7-[(5S)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide
• SMILES: COc1nc(-c2cccc(-c3cccc(NC(=O)c4cn(C[C@H](C)O)c(=O)n(C)c4=O)c3C)c2C)cc2c1[C@@H](N1CC[C@@]3(CCNC(=O)N3)C1)CC2
• InChI: InChI=1S/C39H45N7O6/c1-22(47)19-46-20-29(36(49)44(4)38(46)51)34(48)41-30-11-7-9-27(24(30)3)26-8-6-10-28(23(26)2)31-18-25-12-13-32(33(25)35(42-31)52-5)45-17-15-39(21-45)14-16-40-37(50)43-39/h6-11,18,20,22,32,47H,12-17,19,21H2,1-5H3,(H,41,48)(H2,40,43,50)/t22-,32-,39-/m0/s1
• InChIKey: NKOJERLHKFQVTJ-LWMDAEFWSA-N
• XLogP: 3.67
• TPSA: 159.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	707.83
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxypropyl]-N-[3-[3-[(7S)-1-methoxy-7-[(5S)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide?

The IUPAC name of 1-[(2S)-2-hydroxypropyl]-N-[3-[3-[(7S)-1-methoxy-7-[(5S)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide (CID 177340923) is 1-[(2S)-2-hydroxypropyl]-N-[3-[3-[(7S)-1-methoxy-7-[(5S)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide.

What is the SMILES notation for 1-[(2S)-2-hydroxypropyl]-N-[3-[3-[(7S)-1-methoxy-7-[(5S)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide?

The canonical SMILES for 1-[(2S)-2-hydroxypropyl]-N-[3-[3-[(7S)-1-methoxy-7-[(5S)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide is COc1nc(-c2cccc(-c3cccc(NC(=O)c4cn(C[C@H](C)O)c(=O)n(C)c4=O)c3C)c2C)cc2c1[C@@H](N1CC[C@@]3(CCNC(=O)N3)C1)CC2.

What is the InChIKey of 1-[(2S)-2-hydroxypropyl]-N-[3-[3-[(7S)-1-methoxy-7-[(5S)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide?

The InChIKey is NKOJERLHKFQVTJ-LWMDAEFWSA-N. The full InChI is InChI=1S/C39H45N7O6/c1-22(47)19-46-20-29(36(49)44(4)38(46)51)34(48)41-30-11-7-9-27(24(30)3)26-8-6-10-28(23(26)2)31-18-25-12-13-32(33(25)35(42-31)52-5)45-17-15-39(21-45)14-16-40-37(50)43-39/h6-11,18,20,22,32,47H,12-17,19,21H2,1-5H3,(H,41,48)(H2,40,43,50)/t22-,32-,39-/m0/s1.

What are the key properties of 1-[(2S)-2-hydroxypropyl]-N-[3-[3-[(7S)-1-methoxy-7-[(5S)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide?

1-[(2S)-2-hydroxypropyl]-N-[3-[3-[(7S)-1-methoxy-7-[(5S)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 707.83 g/mol, XLogP of 3.67, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-hydroxypropyl]-N-[3-[3-[(7S)-1-methoxy-7-[(5S)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]-2-methylphenyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 177340923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).