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

C29H31FN4O2 — CID 59762414

IUPAC6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2cncc(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1cccnc1
InChIInChI=1S/C29H31FN4O2/c1-19(2)28-27(29(35)33-16-21-12-22(30)17-32-15-21)25-10-9-24(36-23-7-3-4-8-23)13-26(25)34(28)18-20-6-5-11-31-14-20/h5-6,9-15,17,19,23H,3-4,7-8,16,18H2,1-2H3,(H,33,35)
InChIKeyMDNFALFQEPBTGJ-UHFFFAOYSA-N
MW486.59 g/mol
LogP5.99
Rot. Bonds8

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

6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide (PubChem CID 59762414) 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-3-ylmethyl)indole-3-carboxamide.

Molecular Properties

Compound Name6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide
PubChem CID59762414
Molecular FormulaC29H31FN4O2
Molecular Weight486.59 g/mol
Exact Mass486.24
IUPAC Name6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2cncc(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1cccnc1
InChIInChI=1S/C29H31FN4O2/c1-19(2)28-27(29(35)33-16-21-12-22(30)17-32-15-21)25-10-9-24(36-23-7-3-4-8-23)13-26(25)34(28)18-20-6-5-11-31-14-20/h5-6,9-15,17,19,23H,3-4,7-8,16,18H2,1-2H3,(H,33,35)
InChIKeyMDNFALFQEPBTGJ-UHFFFAOYSA-N
XLogP5.99
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.59
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide?
The IUPAC name of 6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide (CID 59762414) is 6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide.
What is the SMILES notation for 6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide?
The canonical SMILES for 6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide is CC(C)c1c(C(=O)NCc2cncc(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1cccnc1.
What is the InChIKey of 6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide?
The InChIKey is MDNFALFQEPBTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O2/c1-19(2)28-27(29(35)33-16-21-12-22(30)17-32-15-21)25-10-9-24(36-23-7-3-4-8-23)13-26(25)34(28)18-20-6-5-11-31-14-20/h5-6,9-15,17,19,23H,3-4,7-8,16,18H2,1-2H3,(H,33,35).
What are the key properties of 6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide?
6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-3-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-3-ylmethyl)indole-3-carboxamide is sourced from PubChem (CID 59762414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).