4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(1-methylindazol-3-yl)methyl]indole-3-carboxamide

C24H25FN4O2 — CID 138644469

IUPAC4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(1-methylindazol-3-yl)methyl]indole-3-carboxamide
SMILESCn1nc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3c(F)cccc32)c2ccccc21
InChIInChI=1S/C24H25FN4O2/c1-28-20-10-4-2-7-15(20)19(27-28)14-29-13-16(23-17(25)8-6-11-21(23)29)24(31)26-18-9-3-5-12-22(18)30/h2,4,6-8,10-11,13,18,22,30H,3,5,9,12,14H2,1H3,(H,26,31)/t18-,22-/m0/s1
InChIKeyJIRIAFJLNXRRLK-AVRDEDQJSA-N
MW420.49 g/mol
LogP3.75
Rot. Bonds4

About 4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(1-methylindazol-3-yl)methyl]indole-3-carboxamide

4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(1-methylindazol-3-yl)methyl]indole-3-carboxamide (PubChem CID 138644469) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(1-methylindazol-3-yl)methyl]indole-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(1-methylindazol-3-yl)methyl]indole-3-carboxamide
PubChem CID138644469
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(1-methylindazol-3-yl)methyl]indole-3-carboxamide
SMILESCn1nc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3c(F)cccc32)c2ccccc21
InChIInChI=1S/C24H25FN4O2/c1-28-20-10-4-2-7-15(20)19(27-28)14-29-13-16(23-17(25)8-6-11-21(23)29)24(31)26-18-9-3-5-12-22(18)30/h2,4,6-8,10-11,13,18,22,30H,3,5,9,12,14H2,1H3,(H,26,31)/t18-,22-/m0/s1
InChIKeyJIRIAFJLNXRRLK-AVRDEDQJSA-N
XLogP3.75
TPSA72.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(1-methylindazol-3-yl)methyl]indole-3-carboxamide with MolForge

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Related Compounds

4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 121482836
1-[(2,3-difluoro-4-pyridinyl)methyl]-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide
CID 135312875
1-[(2,5-difluoro-4-pyridinyl)methyl]-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide
CID 135312869
1-[(2-bromo-1,3-thiazol-5-yl)methyl]-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide
CID 135312988
N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylindazole-3-carboxamide
CID 103120378
N-(2-hydroxycyclohexyl)-1-methylindazole-3-carboxamide
CID 103120150
1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide
CID 123211573
N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 123838231
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
N-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide
CID 159266559
N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide
CID 144813115

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(1-methylindazol-3-yl)methyl]indole-3-carboxamide?
The IUPAC name of 4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(1-methylindazol-3-yl)methyl]indole-3-carboxamide (CID 138644469) is 4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(1-methylindazol-3-yl)methyl]indole-3-carboxamide.
What is the SMILES notation for 4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(1-methylindazol-3-yl)methyl]indole-3-carboxamide?
The canonical SMILES for 4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(1-methylindazol-3-yl)methyl]indole-3-carboxamide is Cn1nc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3c(F)cccc32)c2ccccc21.
What is the InChIKey of 4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(1-methylindazol-3-yl)methyl]indole-3-carboxamide?
The InChIKey is JIRIAFJLNXRRLK-AVRDEDQJSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-28-20-10-4-2-7-15(20)19(27-28)14-29-13-16(23-17(25)8-6-11-21(23)29)24(31)26-18-9-3-5-12-22(18)30/h2,4,6-8,10-11,13,18,22,30H,3,5,9,12,14H2,1H3,(H,26,31)/t18-,22-/m0/s1.
What are the key properties of 4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(1-methylindazol-3-yl)methyl]indole-3-carboxamide?
4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(1-methylindazol-3-yl)methyl]indole-3-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(1-methylindazol-3-yl)methyl]indole-3-carboxamide is sourced from PubChem (CID 138644469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).