4-cyclopropyl-6-[4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-oxo-1H-pyridin-2-yl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one

C31H32FN7O2 — CID 172608468

About 4-cyclopropyl-6-[4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-oxo-1H-pyridin-2-yl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one

4-cyclopropyl-6-[4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-oxo-1H-pyridin-2-yl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 172608468) has the molecular formula C31H32FN7O2 and a molecular weight of 553.64 g/mol. Its IUPAC name is 4-cyclopropyl-6-[4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-oxo-1H-pyridin-2-yl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

• Compound Name: 4-cyclopropyl-6-[4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-oxo-1H-pyridin-2-yl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
• PubChem CID: 172608468
• Molecular Formula: C31H32FN7O2
• Molecular Weight: 553.64 g/mol
• Exact Mass: 553.26
• IUPAC Name: 4-cyclopropyl-6-[4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-oxo-1H-pyridin-2-yl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
• SMILES: C[C@H]1CCCN(Cc2cc3c(C4CC4)cn(-c4cc(-c5ccc(F)cc5-c5nncn5C)cc(=O)[nH]4)c(=O)c3[nH]2)C1
• InChI: InChI=1S/C31H32FN7O2/c1-18-4-3-9-38(14-18)15-22-13-24-26(19-5-6-19)16-39(31(41)29(24)34-22)27-10-20(11-28(40)35-27)23-8-7-21(32)12-25(23)30-36-33-17-37(30)2/h7-8,10-13,16-19,34H,3-6,9,14-15H2,1-2H3,(H,35,40)/t18-/m0/s1
• InChIKey: LVTCAUBGZNPSCD-SFHVURJKSA-N
• XLogP: 4.72
• TPSA: 104.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.64
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-oxo-1H-pyridin-2-yl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one?

The IUPAC name of 4-cyclopropyl-6-[4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-oxo-1H-pyridin-2-yl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 172608468) is 4-cyclopropyl-6-[4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-oxo-1H-pyridin-2-yl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

What is the SMILES notation for 4-cyclopropyl-6-[4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-oxo-1H-pyridin-2-yl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one?

The canonical SMILES for 4-cyclopropyl-6-[4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-oxo-1H-pyridin-2-yl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one is C[C@H]1CCCN(Cc2cc3c(C4CC4)cn(-c4cc(-c5ccc(F)cc5-c5nncn5C)cc(=O)[nH]4)c(=O)c3[nH]2)C1.

What is the InChIKey of 4-cyclopropyl-6-[4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-oxo-1H-pyridin-2-yl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one?

The InChIKey is LVTCAUBGZNPSCD-SFHVURJKSA-N. The full InChI is InChI=1S/C31H32FN7O2/c1-18-4-3-9-38(14-18)15-22-13-24-26(19-5-6-19)16-39(31(41)29(24)34-22)27-10-20(11-28(40)35-27)23-8-7-21(32)12-25(23)30-36-33-17-37(30)2/h7-8,10-13,16-19,34H,3-6,9,14-15H2,1-2H3,(H,35,40)/t18-/m0/s1.

What are the key properties of 4-cyclopropyl-6-[4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-oxo-1H-pyridin-2-yl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one?

4-cyclopropyl-6-[4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-oxo-1H-pyridin-2-yl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 553.64 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-6-[4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-oxo-1H-pyridin-2-yl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 172608468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).