5-fluoro-2-[3-[4-(4-hydroxypiperidin-1-yl)cyclohexyl]pyrrolo[2,3-c]pyridin-1-yl]-N-methyl-N-propan-2-ylbenzamide

C29H37FN4O2 — CID 134347619

About 5-fluoro-2-[3-[4-(4-hydroxypiperidin-1-yl)cyclohexyl]pyrrolo[2,3-c]pyridin-1-yl]-N-methyl-N-propan-2-ylbenzamide

5-fluoro-2-[3-[4-(4-hydroxypiperidin-1-yl)cyclohexyl]pyrrolo[2,3-c]pyridin-1-yl]-N-methyl-N-propan-2-ylbenzamide (PubChem CID 134347619) has the molecular formula C29H37FN4O2 and a molecular weight of 492.64 g/mol. Its IUPAC name is 5-fluoro-2-[3-[4-(4-hydroxypiperidin-1-yl)cyclohexyl]pyrrolo[2,3-c]pyridin-1-yl]-N-methyl-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: 5-fluoro-2-[3-[4-(4-hydroxypiperidin-1-yl)cyclohexyl]pyrrolo[2,3-c]pyridin-1-yl]-N-methyl-N-propan-2-ylbenzamide
• PubChem CID: 134347619
• Molecular Formula: C29H37FN4O2
• Molecular Weight: 492.64 g/mol
• Exact Mass: 492.29
• IUPAC Name: 5-fluoro-2-[3-[4-(4-hydroxypiperidin-1-yl)cyclohexyl]pyrrolo[2,3-c]pyridin-1-yl]-N-methyl-N-propan-2-ylbenzamide
• SMILES: CC(C)N(C)C(=O)c1cc(F)ccc1-n1cc(C2CCC(N3CCC(O)CC3)CC2)c2ccncc21
• InChI: InChI=1S/C29H37FN4O2/c1-19(2)32(3)29(36)25-16-21(30)6-9-27(25)34-18-26(24-10-13-31-17-28(24)34)20-4-7-22(8-5-20)33-14-11-23(35)12-15-33/h6,9-10,13,16-20,22-23,35H,4-5,7-8,11-12,14-15H2,1-3H3
• InChIKey: BTGDXCRFYYRWHC-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 61.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.64
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-[4-(4-hydroxypiperidin-1-yl)cyclohexyl]pyrrolo[2,3-c]pyridin-1-yl]-N-methyl-N-propan-2-ylbenzamide?

The IUPAC name of 5-fluoro-2-[3-[4-(4-hydroxypiperidin-1-yl)cyclohexyl]pyrrolo[2,3-c]pyridin-1-yl]-N-methyl-N-propan-2-ylbenzamide (CID 134347619) is 5-fluoro-2-[3-[4-(4-hydroxypiperidin-1-yl)cyclohexyl]pyrrolo[2,3-c]pyridin-1-yl]-N-methyl-N-propan-2-ylbenzamide.

What is the SMILES notation for 5-fluoro-2-[3-[4-(4-hydroxypiperidin-1-yl)cyclohexyl]pyrrolo[2,3-c]pyridin-1-yl]-N-methyl-N-propan-2-ylbenzamide?

The canonical SMILES for 5-fluoro-2-[3-[4-(4-hydroxypiperidin-1-yl)cyclohexyl]pyrrolo[2,3-c]pyridin-1-yl]-N-methyl-N-propan-2-ylbenzamide is CC(C)N(C)C(=O)c1cc(F)ccc1-n1cc(C2CCC(N3CCC(O)CC3)CC2)c2ccncc21.

What is the InChIKey of 5-fluoro-2-[3-[4-(4-hydroxypiperidin-1-yl)cyclohexyl]pyrrolo[2,3-c]pyridin-1-yl]-N-methyl-N-propan-2-ylbenzamide?

The InChIKey is BTGDXCRFYYRWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FN4O2/c1-19(2)32(3)29(36)25-16-21(30)6-9-27(25)34-18-26(24-10-13-31-17-28(24)34)20-4-7-22(8-5-20)33-14-11-23(35)12-15-33/h6,9-10,13,16-20,22-23,35H,4-5,7-8,11-12,14-15H2,1-3H3.

What are the key properties of 5-fluoro-2-[3-[4-(4-hydroxypiperidin-1-yl)cyclohexyl]pyrrolo[2,3-c]pyridin-1-yl]-N-methyl-N-propan-2-ylbenzamide?

5-fluoro-2-[3-[4-(4-hydroxypiperidin-1-yl)cyclohexyl]pyrrolo[2,3-c]pyridin-1-yl]-N-methyl-N-propan-2-ylbenzamide has a molecular weight of 492.64 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-[3-[4-(4-hydroxypiperidin-1-yl)cyclohexyl]pyrrolo[2,3-c]pyridin-1-yl]-N-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 134347619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).