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

C30H31F3N4O2 — CID 59762323

IUPAC6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(C(F)(F)F)nc2)c2ccc(OC3CCCC3)cc2n1Cc1ccccn1
InChIInChI=1S/C30H31F3N4O2/c1-19(2)28-27(29(38)36-17-20-10-13-26(35-16-20)30(31,32)33)24-12-11-23(39-22-8-3-4-9-22)15-25(24)37(28)18-21-7-5-6-14-34-21/h5-7,10-16,19,22H,3-4,8-9,17-18H2,1-2H3,(H,36,38)
InChIKeyOLMCCEPAHKICDZ-UHFFFAOYSA-N
MW536.60 g/mol
LogP6.87
Rot. Bonds8

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

6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide (PubChem CID 59762323) has the molecular formula C30H31F3N4O2 and a molecular weight of 536.60 g/mol. Its IUPAC name is 6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide.

Molecular Properties

Compound Name6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide
PubChem CID59762323
Molecular FormulaC30H31F3N4O2
Molecular Weight536.60 g/mol
Exact Mass536.24
IUPAC Name6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(C(F)(F)F)nc2)c2ccc(OC3CCCC3)cc2n1Cc1ccccn1
InChIInChI=1S/C30H31F3N4O2/c1-19(2)28-27(29(38)36-17-20-10-13-26(35-16-20)30(31,32)33)24-12-11-23(39-22-8-3-4-9-22)15-25(24)37(28)18-21-7-5-6-14-34-21/h5-7,10-16,19,22H,3-4,8-9,17-18H2,1-2H3,(H,36,38)
InChIKeyOLMCCEPAHKICDZ-UHFFFAOYSA-N
XLogP6.87
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.60
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methoxy-2-methyl-N-(4-(4-(4-(trifluoromethoxy)phenyl)piperidin-1-yl)benzyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188597
6-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11669478
4-{2-[6-(benzyloxy)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-1-yl]ethyl}morpholine
CID 11676975
3-(6-methoxy-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327685
1-benzyl-N-(3,4-difluorobenzyl)-6-ethoxy-2-isopropyl-1H-indole-3-carboxamide
CID 25059487
1-Benzyl-N-(3,4-difluorobenzyl)-2-isopropyl-6-propoxy-1H-indole-3-carboxamide
CID 25059488
1-Benzyl-N-(3,4-difluorobenzyl)-6-isopropoxy-2-isopropyl-1H-indole-3-carboxamide
CID 25059745
2-(3-Cyclopropanecarbonyl-indol-1-yl)-N-(3-methoxy-phenyl)-acetamide
CID 965857
(2-(3-fluoro-2-methylbenzyl)-6-(2-hydroxyethoxy)-1-phenyl-1H-indol-3-yl)(piperazin-1-yl)methanone
CID 52949001
[2-(3-Fluoro-2-methyl-benzyl)-6-methoxy-1-phenyl-1H-pyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-yl-methanone
CID 53387514
[2-(3-Fluoro-2-methyl-benzyl)-5-methoxy-1-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl]-piperazin-1-yl-methanone
CID 56664903
[1-Cyclohexyl-2-(3-fluoro-2-methyl-benzyl)-6-methoxy-1H-pyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-yl-methanone
CID 56665264

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide?
The IUPAC name of 6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide (CID 59762323) is 6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide.
What is the SMILES notation for 6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide?
The canonical SMILES for 6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide is CC(C)c1c(C(=O)NCc2ccc(C(F)(F)F)nc2)c2ccc(OC3CCCC3)cc2n1Cc1ccccn1.
What is the InChIKey of 6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide?
The InChIKey is OLMCCEPAHKICDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N4O2/c1-19(2)28-27(29(38)36-17-20-10-13-26(35-16-20)30(31,32)33)24-12-11-23(39-22-8-3-4-9-22)15-25(24)37(28)18-21-7-5-6-14-34-21/h5-7,10-16,19,22H,3-4,8-9,17-18H2,1-2H3,(H,36,38).
What are the key properties of 6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide?
6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide has a molecular weight of 536.60 g/mol, XLogP of 6.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide is sourced from PubChem (CID 59762323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).