6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide

C30H31F2N3O2 — CID 59762353

IUPAC6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1cccnc1
InChIInChI=1S/C30H31F2N3O2/c1-19(2)29-28(30(36)34-17-20-9-12-25(31)26(32)14-20)24-11-10-23(37-22-7-3-4-8-22)15-27(24)35(29)18-21-6-5-13-33-16-21/h5-6,9-16,19,22H,3-4,7-8,17-18H2,1-2H3,(H,34,36)
InChIKeyNKZAMBRDJSNMSL-UHFFFAOYSA-N
MW503.59 g/mol
LogP6.74
Rot. Bonds8

About 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide

6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide (PubChem CID 59762353) has the molecular formula C30H31F2N3O2 and a molecular weight of 503.59 g/mol. Its IUPAC name is 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide.

Molecular Properties

Compound Name6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide
PubChem CID59762353
Molecular FormulaC30H31F2N3O2
Molecular Weight503.59 g/mol
Exact Mass503.24
IUPAC Name6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1cccnc1
InChIInChI=1S/C30H31F2N3O2/c1-19(2)29-28(30(36)34-17-20-9-12-25(31)26(32)14-20)24-11-10-23(37-22-7-3-4-8-22)15-27(24)35(29)18-21-6-5-13-33-16-21/h5-6,9-16,19,22H,3-4,7-8,17-18H2,1-2H3,(H,34,36)
InChIKeyNKZAMBRDJSNMSL-UHFFFAOYSA-N
XLogP6.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.59
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide?
The IUPAC name of 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide (CID 59762353) is 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide.
What is the SMILES notation for 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide?
The canonical SMILES for 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide is CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1cccnc1.
What is the InChIKey of 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide?
The InChIKey is NKZAMBRDJSNMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F2N3O2/c1-19(2)29-28(30(36)34-17-20-9-12-25(31)26(32)14-20)24-11-10-23(37-22-7-3-4-8-22)15-27(24)35(29)18-21-6-5-13-33-16-21/h5-6,9-16,19,22H,3-4,7-8,17-18H2,1-2H3,(H,34,36).
What are the key properties of 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide?
6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide has a molecular weight of 503.59 g/mol, XLogP of 6.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide is sourced from PubChem (CID 59762353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).