N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-3-(1-fluoroethyl)-1,5-dimethylpyrazole-4-carboxamide

C28H38FN5O — CID 167099552

IUPACN-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-3-(1-fluoroethyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1ccc2nc(C(C)(C)C)cc(NC3CCC(NC(=O)c4c(C(C)F)nn(C)c4C)CC3)c2c1
InChIInChI=1S/C28H38FN5O/c1-16-8-13-22-21(14-16)23(15-24(32-22)28(4,5)6)30-19-9-11-20(12-10-19)31-27(35)25-18(3)34(7)33-26(25)17(2)29/h8,13-15,17,19-20H,9-12H2,1-7H3,(H,30,32)(H,31,35)
InChIKeyWFYSAODIDLOPAW-UHFFFAOYSA-N
MW479.64 g/mol
LogP6.07
Rot. Bonds5

About N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-3-(1-fluoroethyl)-1,5-dimethylpyrazole-4-carboxamide

N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-3-(1-fluoroethyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 167099552) has the molecular formula C28H38FN5O and a molecular weight of 479.64 g/mol. Its IUPAC name is N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-3-(1-fluoroethyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-3-(1-fluoroethyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID167099552
Molecular FormulaC28H38FN5O
Molecular Weight479.64 g/mol
Exact Mass479.31
IUPAC NameN-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-3-(1-fluoroethyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1ccc2nc(C(C)(C)C)cc(NC3CCC(NC(=O)c4c(C(C)F)nn(C)c4C)CC3)c2c1
InChIInChI=1S/C28H38FN5O/c1-16-8-13-22-21(14-16)23(15-24(32-22)28(4,5)6)30-19-9-11-20(12-10-19)31-27(35)25-18(3)34(7)33-26(25)17(2)29/h8,13-15,17,19-20H,9-12H2,1-7H3,(H,30,32)(H,31,35)
InChIKeyWFYSAODIDLOPAW-UHFFFAOYSA-N
XLogP6.07
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.64
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-3-(1-fluoroethyl)-1,5-dimethylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]furan-3-carboxamide
CID 167099451
N-[4-[(2-tert-butylquinolin-4-yl)amino]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
CID 167099235
4-iodo-1-methyl-N-[4-[(6-methyl-2-propan-2-ylquinolin-4-yl)amino]cyclohexyl]pyrazole-3-carboxamide
CID 167099239
CID 174011113
CID 174011113
N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide
CID 167099537
N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 167099145
4-(1,3-dioxoisoindol-2-yl)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]butanamide
CID 167099517
N-[4-[[2-(1,1-difluoroethyl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 167099245
N-[4-[(6-methyl-2-propan-2-ylquinolin-4-yl)amino]cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 167099478
2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267200
4-(6,7-dihydroquinolin-2-ylmethoxy)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]benzamide
CID 167099148
N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-N,3-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 167099361

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-3-(1-fluoroethyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-3-(1-fluoroethyl)-1,5-dimethylpyrazole-4-carboxamide (CID 167099552) is N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-3-(1-fluoroethyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-3-(1-fluoroethyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-3-(1-fluoroethyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1ccc2nc(C(C)(C)C)cc(NC3CCC(NC(=O)c4c(C(C)F)nn(C)c4C)CC3)c2c1.
What is the InChIKey of N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-3-(1-fluoroethyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is WFYSAODIDLOPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38FN5O/c1-16-8-13-22-21(14-16)23(15-24(32-22)28(4,5)6)30-19-9-11-20(12-10-19)31-27(35)25-18(3)34(7)33-26(25)17(2)29/h8,13-15,17,19-20H,9-12H2,1-7H3,(H,30,32)(H,31,35).
What are the key properties of N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-3-(1-fluoroethyl)-1,5-dimethylpyrazole-4-carboxamide?
N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-3-(1-fluoroethyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 479.64 g/mol, XLogP of 6.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-3-(1-fluoroethyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 167099552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).