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

C21H24F2N4O2 — CID 135312855

IUPAC4-fluoro-1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2cnn(CCF)c2)c2cccc(F)c12
InChIInChI=1S/C21H24F2N4O2/c22-8-9-27-12-14(10-24-27)11-26-13-15(20-16(23)4-3-6-18(20)26)21(29)25-17-5-1-2-7-19(17)28/h3-4,6,10,12-13,17,19,28H,1-2,5,7-9,11H2,(H,25,29)/t17-,19-/m0/s1
InChIKeyHWTLSMBQQSRMRX-HKUYNNGSSA-N
MW402.45 g/mol
LogP3.03
Rot. Bonds6

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

4-fluoro-1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide (PubChem CID 135312855) has the molecular formula C21H24F2N4O2 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-fluoro-1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide
PubChem CID135312855
Molecular FormulaC21H24F2N4O2
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Name4-fluoro-1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2cnn(CCF)c2)c2cccc(F)c12
InChIInChI=1S/C21H24F2N4O2/c22-8-9-27-12-14(10-24-27)11-26-13-15(20-16(23)4-3-6-18(20)26)21(29)25-17-5-1-2-7-19(17)28/h3-4,6,10,12-13,17,19,28H,1-2,5,7-9,11H2,(H,25,29)/t17-,19-/m0/s1
InChIKeyHWTLSMBQQSRMRX-HKUYNNGSSA-N
XLogP3.03
TPSA72.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[3-[[4-(4-Butanoyl-5-methylpyrazol-1-yl)phenyl]carbamoyl]-5-methylindol-1-yl]acetic acid
CID 66575818
Hydroxyethylamine derivative, 17
CID 44143263
Hydroxyethylamine derivative, 19
CID 44143265
Jak-IN-3
CID 68291755
1-[(1R)-1-(4-methoxycyclohexyl)ethyl]-2-methyl-N-[[6-methyl-2-oxo-4-(trideuteriomethylsulfanyl)-1H-pyridin-3-yl]methyl]-5-(1-methylpyrazol-4-yl)indole-3-carboxamide
CID 156799540
PF-06764427, >=98% (Hplc)
CID 124203829
N-[(3R,4S)-3-hydroxyoxan-4-yl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 127038324
1-ethyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[2-[3-(trifluoromethyl)phenyl]propan-2-ylamino]butan-2-yl]-4-(2-oxopyrrolidin-1-yl)indazole-6-carboxamide
CID 44528348
N-[(2S,3R)-4-(2,6-dimethylheptan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl]-1-ethyl-4-(2-oxopyrrolidin-1-yl)indole-6-carboxamide
CID 44528691
N-[(2S,3R)-4-(cyclohexylamino)-3-hydroxy-1-phenylbutan-2-yl]-1-ethyl-4-(2-oxopyrrolidin-1-yl)indole-6-carboxamide
CID 44528694
2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide
CID 54771575
N-[(3,4-difluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57395999

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide?
The IUPAC name of 4-fluoro-1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide (CID 135312855) is 4-fluoro-1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide.
What is the SMILES notation for 4-fluoro-1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide?
The canonical SMILES for 4-fluoro-1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide is O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2cnn(CCF)c2)c2cccc(F)c12.
What is the InChIKey of 4-fluoro-1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide?
The InChIKey is HWTLSMBQQSRMRX-HKUYNNGSSA-N. The full InChI is InChI=1S/C21H24F2N4O2/c22-8-9-27-12-14(10-24-27)11-26-13-15(20-16(23)4-3-6-18(20)26)21(29)25-17-5-1-2-7-19(17)28/h3-4,6,10,12-13,17,19,28H,1-2,5,7-9,11H2,(H,25,29)/t17-,19-/m0/s1.
What are the key properties of 4-fluoro-1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide?
4-fluoro-1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide is sourced from PubChem (CID 135312855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).