N-cyclohexyl-4,5-difluoro-1-[[4-(4-methylimidazol-1-yl)phenyl]methyl]indole-3-carboxamide

C26H26F2N4O — CID 144813167

IUPACN-cyclohexyl-4,5-difluoro-1-[[4-(4-methylimidazol-1-yl)phenyl]methyl]indole-3-carboxamide
SMILESCc1cn(-c2ccc(Cn3cc(C(=O)NC4CCCCC4)c4c(F)c(F)ccc43)cc2)cn1
InChIInChI=1S/C26H26F2N4O/c1-17-13-32(16-29-17)20-9-7-18(8-10-20)14-31-15-21(24-23(31)12-11-22(27)25(24)28)26(33)30-19-5-3-2-4-6-19/h7-13,15-16,19H,2-6,14H2,1H3,(H,30,33)
InChIKeyJSXUASVVXOUYEN-UHFFFAOYSA-N
MW448.52 g/mol
LogP5.52
Rot. Bonds5

About N-cyclohexyl-4,5-difluoro-1-[[4-(4-methylimidazol-1-yl)phenyl]methyl]indole-3-carboxamide

N-cyclohexyl-4,5-difluoro-1-[[4-(4-methylimidazol-1-yl)phenyl]methyl]indole-3-carboxamide (PubChem CID 144813167) has the molecular formula C26H26F2N4O and a molecular weight of 448.52 g/mol. Its IUPAC name is N-cyclohexyl-4,5-difluoro-1-[[4-(4-methylimidazol-1-yl)phenyl]methyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4,5-difluoro-1-[[4-(4-methylimidazol-1-yl)phenyl]methyl]indole-3-carboxamide
PubChem CID144813167
Molecular FormulaC26H26F2N4O
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-cyclohexyl-4,5-difluoro-1-[[4-(4-methylimidazol-1-yl)phenyl]methyl]indole-3-carboxamide
SMILESCc1cn(-c2ccc(Cn3cc(C(=O)NC4CCCCC4)c4c(F)c(F)ccc43)cc2)cn1
InChIInChI=1S/C26H26F2N4O/c1-17-13-32(16-29-17)20-9-7-18(8-10-20)14-31-15-21(24-23(31)12-11-22(27)25(24)28)26(33)30-19-5-3-2-4-6-19/h7-13,15-16,19H,2-6,14H2,1H3,(H,30,33)
InChIKeyJSXUASVVXOUYEN-UHFFFAOYSA-N
XLogP5.52
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-difluoro-N-(2-hydroxycyclohexyl)-1-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]indole-3-carboxamide
CID 123833679
N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide
CID 121482780
1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide
CID 123211573
N-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide
CID 159266559
N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 123838231
N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide
CID 144813115
2-fluoro-4-(4-methylimidazol-1-yl)-N-pyrrolidin-3-ylbenzamide
CID 122590890
4-fluoro-N-(oxan-4-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]indole-3-carboxamide
CID 144813109
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 121482836
1-[(4-carbamoylphenyl)methyl]-4-fluoro-N-(oxan-4-yl)indole-3-carboxamide
CID 123766771
7-benzyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562649

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4,5-difluoro-1-[[4-(4-methylimidazol-1-yl)phenyl]methyl]indole-3-carboxamide?
The IUPAC name of N-cyclohexyl-4,5-difluoro-1-[[4-(4-methylimidazol-1-yl)phenyl]methyl]indole-3-carboxamide (CID 144813167) is N-cyclohexyl-4,5-difluoro-1-[[4-(4-methylimidazol-1-yl)phenyl]methyl]indole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-4,5-difluoro-1-[[4-(4-methylimidazol-1-yl)phenyl]methyl]indole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-4,5-difluoro-1-[[4-(4-methylimidazol-1-yl)phenyl]methyl]indole-3-carboxamide is Cc1cn(-c2ccc(Cn3cc(C(=O)NC4CCCCC4)c4c(F)c(F)ccc43)cc2)cn1.
What is the InChIKey of N-cyclohexyl-4,5-difluoro-1-[[4-(4-methylimidazol-1-yl)phenyl]methyl]indole-3-carboxamide?
The InChIKey is JSXUASVVXOUYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O/c1-17-13-32(16-29-17)20-9-7-18(8-10-20)14-31-15-21(24-23(31)12-11-22(27)25(24)28)26(33)30-19-5-3-2-4-6-19/h7-13,15-16,19H,2-6,14H2,1H3,(H,30,33).
What are the key properties of N-cyclohexyl-4,5-difluoro-1-[[4-(4-methylimidazol-1-yl)phenyl]methyl]indole-3-carboxamide?
N-cyclohexyl-4,5-difluoro-1-[[4-(4-methylimidazol-1-yl)phenyl]methyl]indole-3-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,5-difluoro-1-[[4-(4-methylimidazol-1-yl)phenyl]methyl]indole-3-carboxamide is sourced from PubChem (CID 144813167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).