4-cyclopropyl-6-[3-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]phenyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one

C33H34FN5O — CID 172608503

About 4-cyclopropyl-6-[3-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]phenyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one

4-cyclopropyl-6-[3-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]phenyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 172608503) has the molecular formula C33H34FN5O and a molecular weight of 535.67 g/mol. Its IUPAC name is 4-cyclopropyl-6-[3-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]phenyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

• Compound Name: 4-cyclopropyl-6-[3-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]phenyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
• PubChem CID: 172608503
• Molecular Formula: C33H34FN5O
• Molecular Weight: 535.67 g/mol
• Exact Mass: 535.27
• IUPAC Name: 4-cyclopropyl-6-[3-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]phenyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
• SMILES: Cc1cn[nH]c1-c1cc(F)ccc1-c1cccc(-n2cc(C3CC3)c3cc(CN4CCC[C@H](C)C4)[nH]c3c2=O)c1
• InChI: InChI=1S/C33H34FN5O/c1-20-5-4-12-38(17-20)18-25-15-29-30(22-8-9-22)19-39(33(40)32(29)36-25)26-7-3-6-23(13-26)27-11-10-24(34)14-28(27)31-21(2)16-35-37-31/h3,6-7,10-11,13-16,19-20,22,36H,4-5,8-9,12,17-18H2,1-2H3,(H,35,37)/t20-/m0/s1
• InChIKey: VOMPIRKCIFZLAP-FQEVSTJZSA-N
• XLogP: 6.93
• TPSA: 69.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.67
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[3-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]phenyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one?

The IUPAC name of 4-cyclopropyl-6-[3-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]phenyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 172608503) is 4-cyclopropyl-6-[3-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]phenyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

What is the SMILES notation for 4-cyclopropyl-6-[3-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]phenyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one?

The canonical SMILES for 4-cyclopropyl-6-[3-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]phenyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one is Cc1cn[nH]c1-c1cc(F)ccc1-c1cccc(-n2cc(C3CC3)c3cc(CN4CCC[C@H](C)C4)[nH]c3c2=O)c1.

What is the InChIKey of 4-cyclopropyl-6-[3-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]phenyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one?

The InChIKey is VOMPIRKCIFZLAP-FQEVSTJZSA-N. The full InChI is InChI=1S/C33H34FN5O/c1-20-5-4-12-38(17-20)18-25-15-29-30(22-8-9-22)19-39(33(40)32(29)36-25)26-7-3-6-23(13-26)27-11-10-24(34)14-28(27)31-21(2)16-35-37-31/h3,6-7,10-11,13-16,19-20,22,36H,4-5,8-9,12,17-18H2,1-2H3,(H,35,37)/t20-/m0/s1.

What are the key properties of 4-cyclopropyl-6-[3-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]phenyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one?

4-cyclopropyl-6-[3-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]phenyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 535.67 g/mol, XLogP of 6.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-6-[3-[4-fluoro-2-(4-methyl-1H-pyrazol-5-yl)phenyl]phenyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 172608503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).