N-[4-[[2-(1,1-difluoroethyl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

C25H29F2N5O2 — CID 167099245

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESCc1ccc2nc(C(C)(F)F)cc(NC3CCC(NC(=O)c4n[nH]c5c4COCC5)CC3)c2c1
InChIInChI=1S/C25H29F2N5O2/c1-14-3-8-19-17(11-14)21(12-22(30-19)25(2,26)27)28-15-4-6-16(7-5-15)29-24(33)23-18-13-34-10-9-20(18)31-32-23/h3,8,11-12,15-16H,4-7,9-10,13H2,1-2H3,(H,28,30)(H,29,33)(H,31,32)
InChIKeyZOFXMCXEBRQPKQ-UHFFFAOYSA-N
MW469.54 g/mol
LogP4.60
Rot. Bonds5

About N-[4-[[2-(1,1-difluoroethyl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

N-[4-[[2-(1,1-difluoroethyl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (PubChem CID 167099245) has the molecular formula C25H29F2N5O2 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
PubChem CID167099245
Molecular FormulaC25H29F2N5O2
Molecular Weight469.54 g/mol
Exact Mass469.23
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESCc1ccc2nc(C(C)(F)F)cc(NC3CCC(NC(=O)c4n[nH]c5c4COCC5)CC3)c2c1
InChIInChI=1S/C25H29F2N5O2/c1-14-3-8-19-17(11-14)21(12-22(30-19)25(2,26)27)28-15-4-6-16(7-5-15)29-24(33)23-18-13-34-10-9-20(18)31-32-23/h3,8,11-12,15-16H,4-7,9-10,13H2,1-2H3,(H,28,30)(H,29,33)(H,31,32)
InChIKeyZOFXMCXEBRQPKQ-UHFFFAOYSA-N
XLogP4.60
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 163267157
N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]furan-3-carboxamide
CID 167099451
N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide
CID 167099537
N-(2,4-dimethylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 84578107
N-(4-methoxycyclohexyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 163311601
N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-3-(1-fluoroethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 167099552
4-(6,7-dihydroquinolin-2-ylmethoxy)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]benzamide
CID 167099148
N-(3-methylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 84577240
4-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1H-pyrazole-5-carboxamide
CID 163267355
2-(methylamino)-N-[(1R,3S)-3-[[6-methyl-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163229761
4-(1,3-dioxoisoindol-2-yl)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]butanamide
CID 167099517
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 163267125

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of 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) is N-[4-[[2-(1,1-difluoroethyl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is Cc1ccc2nc(C(C)(F)F)cc(NC3CCC(NC(=O)c4n[nH]c5c4COCC5)CC3)c2c1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The InChIKey is ZOFXMCXEBRQPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N5O2/c1-14-3-8-19-17(11-14)21(12-22(30-19)25(2,26)27)28-15-4-6-16(7-5-15)29-24(33)23-18-13-34-10-9-20(18)31-32-23/h3,8,11-12,15-16H,4-7,9-10,13H2,1-2H3,(H,28,30)(H,29,33)(H,31,32).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
N-[4-[[2-(1,1-difluoroethyl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide has a molecular weight of 469.54 g/mol, XLogP of 4.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1,1-difluoroethyl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 167099245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).