N-[1-(1-bicyclo[1.1.1]pentanyl)cyclopropyl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide

C25H23F3N2O — CID 158072256

IUPACN-[1-(1-bicyclo[1.1.1]pentanyl)cyclopropyl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide
SMILESO=C(NC1(C23CC(C2)C3)CC1)c1cccc2ccn(Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C25H23F3N2O/c26-25(27,28)19-6-4-16(5-7-19)15-30-11-8-18-2-1-3-20(21(18)30)22(31)29-24(9-10-24)23-12-17(13-23)14-23/h1-8,11,17H,9-10,12-15H2,(H,29,31)
InChIKeyFLYQNLUCABYJFW-UHFFFAOYSA-N
MW424.47 g/mol
LogP5.77
Rot. Bonds5

About N-[1-(1-bicyclo[1.1.1]pentanyl)cyclopropyl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide

N-[1-(1-bicyclo[1.1.1]pentanyl)cyclopropyl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide (PubChem CID 158072256) has the molecular formula C25H23F3N2O and a molecular weight of 424.47 g/mol. Its IUPAC name is N-[1-(1-bicyclo[1.1.1]pentanyl)cyclopropyl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide.

Molecular Properties

Compound NameN-[1-(1-bicyclo[1.1.1]pentanyl)cyclopropyl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide
PubChem CID158072256
Molecular FormulaC25H23F3N2O
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC NameN-[1-(1-bicyclo[1.1.1]pentanyl)cyclopropyl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide
SMILESO=C(NC1(C23CC(C2)C3)CC1)c1cccc2ccn(Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C25H23F3N2O/c26-25(27,28)19-6-4-16(5-7-19)15-30-11-8-18-2-1-3-20(21(18)30)22(31)29-24(9-10-24)23-12-17(13-23)14-23/h1-8,11,17H,9-10,12-15H2,(H,29,31)
InChIKeyFLYQNLUCABYJFW-UHFFFAOYSA-N
XLogP5.77
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.47
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methyl-3-propylcyclobutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide
CID 170209413
2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carbonyl]amino]spiro[2.3]hexane-5-carboxylic acid
CID 155486123
[4-[1-[[1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carbonyl]amino]cyclopropyl]phenyl] formate
CID 88552390
5-chloro-N-cyclopropyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide
CID 175347600
2-[(2S,4S)-3-[[5-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carbonyl]amino]-2,4-dimethyl-1-bicyclo[1.1.1]pentanyl]acetic acid
CID 170209739
N-ethylethanamine;4-[1-[[5-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carbonyl]amino]cyclopropyl]benzoic acid
CID 25003432
4-[1-[[5-(4-methylpiperazin-1-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carbonyl]amino]cyclopropyl]benzoic acid
CID 176771760
tris(4-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(5-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide)
CID 158382820
1-[(4-chlorophenyl)methyl]-N-cyclopropylindole-7-carboxamide
CID 175076965
3-[1-[[1-(quinolin-2-ylmethyl)indole-7-carbonyl]amino]cyclopropyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 155020007
3-[1-[[5-(2-fluorophenyl)-1-[[4-(4-fluorophenyl)phenyl]methyl]indole-7-carbonyl]amino]cyclopropyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 176772014
2-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carbonyl]amino]spiro[3.3]heptane-6-carboxylic acid
CID 160685609

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-bicyclo[1.1.1]pentanyl)cyclopropyl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide?
The IUPAC name of N-[1-(1-bicyclo[1.1.1]pentanyl)cyclopropyl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide (CID 158072256) is N-[1-(1-bicyclo[1.1.1]pentanyl)cyclopropyl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide.
What is the SMILES notation for N-[1-(1-bicyclo[1.1.1]pentanyl)cyclopropyl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide?
The canonical SMILES for N-[1-(1-bicyclo[1.1.1]pentanyl)cyclopropyl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide is O=C(NC1(C23CC(C2)C3)CC1)c1cccc2ccn(Cc3ccc(C(F)(F)F)cc3)c12.
What is the InChIKey of N-[1-(1-bicyclo[1.1.1]pentanyl)cyclopropyl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide?
The InChIKey is FLYQNLUCABYJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O/c26-25(27,28)19-6-4-16(5-7-19)15-30-11-8-18-2-1-3-20(21(18)30)22(31)29-24(9-10-24)23-12-17(13-23)14-23/h1-8,11,17H,9-10,12-15H2,(H,29,31).
What are the key properties of N-[1-(1-bicyclo[1.1.1]pentanyl)cyclopropyl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide?
N-[1-(1-bicyclo[1.1.1]pentanyl)cyclopropyl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide has a molecular weight of 424.47 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-bicyclo[1.1.1]pentanyl)cyclopropyl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide is sourced from PubChem (CID 158072256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).