N-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide

C31H40N6O2 — CID 175953674

About N-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide

N-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide (PubChem CID 175953674) has the molecular formula C31H40N6O2 and a molecular weight of 528.70 g/mol. Its IUPAC name is N-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide
• PubChem CID: 175953674
• Molecular Formula: C31H40N6O2
• Molecular Weight: 528.70 g/mol
• Exact Mass: 528.32
• IUPAC Name: N-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide
• SMILES: CC1CCc2c(CN3CCC[C@H](C)C3)cc(C(=O)Nc3cccc(C4(c5nncn5C)CC(C)(O)C4)c3)nc21
• InChI: InChI=1S/C31H40N6O2/c1-20-7-6-12-37(15-20)16-22-13-26(34-27-21(2)10-11-25(22)27)28(38)33-24-9-5-8-23(14-24)31(17-30(3,39)18-31)29-35-32-19-36(29)4/h5,8-9,13-14,19-21,39H,6-7,10-12,15-18H2,1-4H3,(H,33,38)/t20-,21?,30?,31?/m0/s1
• InChIKey: OUHXFCOAEUHYOS-FJBHGZCUSA-N
• XLogP: 4.57
• TPSA: 96.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.70
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide?

The IUPAC name of N-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide (CID 175953674) is N-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide.

What is the SMILES notation for N-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide?

The canonical SMILES for N-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide is CC1CCc2c(CN3CCC[C@H](C)C3)cc(C(=O)Nc3cccc(C4(c5nncn5C)CC(C)(O)C4)c3)nc21.

What is the InChIKey of N-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide?

The InChIKey is OUHXFCOAEUHYOS-FJBHGZCUSA-N. The full InChI is InChI=1S/C31H40N6O2/c1-20-7-6-12-37(15-20)16-22-13-26(34-27-21(2)10-11-25(22)27)28(38)33-24-9-5-8-23(14-24)31(17-30(3,39)18-31)29-35-32-19-36(29)4/h5,8-9,13-14,19-21,39H,6-7,10-12,15-18H2,1-4H3,(H,33,38)/t20-,21?,30?,31?/m0/s1.

What are the key properties of N-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide?

N-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide has a molecular weight of 528.70 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide is sourced from PubChem (CID 175953674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).