N-[1-[1-(2-hydroxy-2-methylpropyl)-5-methylpyrazol-4-yl]ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-6-carboxamide

C24H29F3N4O2 — CID 24946589

IUPACN-[1-[1-(2-hydroxy-2-methylpropyl)-5-methylpyrazol-4-yl]ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-6-carboxamide
SMILESCc1c(C(C)NC(=O)c2ccc3nc(C(C)(C)C(F)(F)F)ccc3c2)cnn1CC(C)(C)O
InChIInChI=1S/C24H29F3N4O2/c1-14(18-12-28-31(15(18)2)13-22(3,4)33)29-21(32)17-7-9-19-16(11-17)8-10-20(30-19)23(5,6)24(25,26)27/h7-12,14,33H,13H2,1-6H3,(H,29,32)
InChIKeyLNUWFSVARSBNEU-UHFFFAOYSA-N
MW462.52 g/mol
LogP4.84
Rot. Bonds6

About N-[1-[1-(2-hydroxy-2-methylpropyl)-5-methylpyrazol-4-yl]ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-6-carboxamide

N-[1-[1-(2-hydroxy-2-methylpropyl)-5-methylpyrazol-4-yl]ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-6-carboxamide (PubChem CID 24946589) has the molecular formula C24H29F3N4O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is N-[1-[1-(2-hydroxy-2-methylpropyl)-5-methylpyrazol-4-yl]ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-hydroxy-2-methylpropyl)-5-methylpyrazol-4-yl]ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-6-carboxamide
PubChem CID24946589
Molecular FormulaC24H29F3N4O2
Molecular Weight462.52 g/mol
Exact Mass462.22
IUPAC NameN-[1-[1-(2-hydroxy-2-methylpropyl)-5-methylpyrazol-4-yl]ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-6-carboxamide
SMILESCc1c(C(C)NC(=O)c2ccc3nc(C(C)(C)C(F)(F)F)ccc3c2)cnn1CC(C)(C)O
InChIInChI=1S/C24H29F3N4O2/c1-14(18-12-28-31(15(18)2)13-22(3,4)33)29-21(32)17-7-9-19-16(11-17)8-10-20(30-19)23(5,6)24(25,26)27/h7-12,14,33H,13H2,1-6H3,(H,29,32)
InChIKeyLNUWFSVARSBNEU-UHFFFAOYSA-N
XLogP4.84
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-methyl-4-[1-[[2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-6-carbonyl]amino]ethyl]pyrazol-1-yl]acetic acid
CID 67181242
N-[1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-6-carboxamide
CID 24946763
N-[1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-8-carboxamide
CID 87300784
N-[(1R)-1-(2-chloro-4-hydroxy-5-methylphenyl)ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-6-carboxamide
CID 57433305
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-8-carboxamide
CID 67181160
N-[1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]ethyl]-2-methylquinoline-6-carboxamide
CID 143673029
N-[(1S)-1-(5-chloro-1-methylpyrazol-4-yl)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)quinoline-6-carboxamide
CID 59544185
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]naphthalene-2-carboxamide
CID 59544180
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
CID 19467077
N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-(trifluoromethyl)quinoline-6-carboxamide
CID 25008134
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19469039
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(4-fluorophenoxy)methyl]benzamide
CID 19467175

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-hydroxy-2-methylpropyl)-5-methylpyrazol-4-yl]ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-6-carboxamide?
The IUPAC name of N-[1-[1-(2-hydroxy-2-methylpropyl)-5-methylpyrazol-4-yl]ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-6-carboxamide (CID 24946589) is N-[1-[1-(2-hydroxy-2-methylpropyl)-5-methylpyrazol-4-yl]ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-6-carboxamide.
What is the SMILES notation for N-[1-[1-(2-hydroxy-2-methylpropyl)-5-methylpyrazol-4-yl]ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-6-carboxamide?
The canonical SMILES for N-[1-[1-(2-hydroxy-2-methylpropyl)-5-methylpyrazol-4-yl]ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-6-carboxamide is Cc1c(C(C)NC(=O)c2ccc3nc(C(C)(C)C(F)(F)F)ccc3c2)cnn1CC(C)(C)O.
What is the InChIKey of N-[1-[1-(2-hydroxy-2-methylpropyl)-5-methylpyrazol-4-yl]ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-6-carboxamide?
The InChIKey is LNUWFSVARSBNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O2/c1-14(18-12-28-31(15(18)2)13-22(3,4)33)29-21(32)17-7-9-19-16(11-17)8-10-20(30-19)23(5,6)24(25,26)27/h7-12,14,33H,13H2,1-6H3,(H,29,32).
What are the key properties of N-[1-[1-(2-hydroxy-2-methylpropyl)-5-methylpyrazol-4-yl]ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-6-carboxamide?
N-[1-[1-(2-hydroxy-2-methylpropyl)-5-methylpyrazol-4-yl]ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-6-carboxamide has a molecular weight of 462.52 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-hydroxy-2-methylpropyl)-5-methylpyrazol-4-yl]ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-6-carboxamide is sourced from PubChem (CID 24946589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).