6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide

C29H31FN4O2 — CID 59762430

About 6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide

6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide (PubChem CID 59762430) has the molecular formula C29H31FN4O2 and a molecular weight of 486.59 g/mol. Its IUPAC name is 6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide
• PubChem CID: 59762430
• Molecular Formula: C29H31FN4O2
• Molecular Weight: 486.59 g/mol
• Exact Mass: 486.24
• IUPAC Name: 6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide
• SMILES: CC(C)c1c(C(=O)NCc2cncc(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ccccn1
• InChI: InChI=1S/C29H31FN4O2/c1-19(2)28-27(29(35)33-16-20-13-21(30)17-31-15-20)25-11-10-24(36-23-8-3-4-9-23)14-26(25)34(28)18-22-7-5-6-12-32-22/h5-7,10-15,17,19,23H,3-4,8-9,16,18H2,1-2H3,(H,33,35)
• InChIKey: QUDPFOUKPKPPPS-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.59
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide?

The IUPAC name of 6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide (CID 59762430) is 6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide.

What is the SMILES notation for 6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide?

The canonical SMILES for 6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide is CC(C)c1c(C(=O)NCc2cncc(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ccccn1.

What is the InChIKey of 6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide?

The InChIKey is QUDPFOUKPKPPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O2/c1-19(2)28-27(29(35)33-16-20-13-21(30)17-31-15-20)25-11-10-24(36-23-8-3-4-9-23)14-26(25)34(28)18-22-7-5-6-12-32-22/h5-7,10-15,17,19,23H,3-4,8-9,16,18H2,1-2H3,(H,33,35).

What are the key properties of 6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide?

6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide has a molecular weight of 486.59 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide is sourced from PubChem (CID 59762430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).