5-amino-3-[4-(difluoromethoxy)-2-phenylquinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide

C25H23F2N5O3 — CID 169130763

IUPAC5-amino-3-[4-(difluoromethoxy)-2-phenylquinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide
SMILESCC1(O)CC(n2nc(-c3ccc4c(OC(F)F)cc(-c5ccccc5)nc4c3)c(C(N)=O)c2N)C1
InChIInChI=1S/C25H23F2N5O3/c1-25(34)11-15(12-25)32-22(28)20(23(29)33)21(31-32)14-7-8-16-18(9-14)30-17(10-19(16)35-24(26)27)13-5-3-2-4-6-13/h2-10,15,24,34H,11-12,28H2,1H3,(H2,29,33)
InChIKeyMAJYLXUAVQGPGI-UHFFFAOYSA-N
MW479.49 g/mol
LogP4.13
Rot. Bonds6

About 5-amino-3-[4-(difluoromethoxy)-2-phenylquinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide

5-amino-3-[4-(difluoromethoxy)-2-phenylquinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide (PubChem CID 169130763) has the molecular formula C25H23F2N5O3 and a molecular weight of 479.49 g/mol. Its IUPAC name is 5-amino-3-[4-(difluoromethoxy)-2-phenylquinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[4-(difluoromethoxy)-2-phenylquinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide
PubChem CID169130763
Molecular FormulaC25H23F2N5O3
Molecular Weight479.49 g/mol
Exact Mass479.18
IUPAC Name5-amino-3-[4-(difluoromethoxy)-2-phenylquinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide
SMILESCC1(O)CC(n2nc(-c3ccc4c(OC(F)F)cc(-c5ccccc5)nc4c3)c(C(N)=O)c2N)C1
InChIInChI=1S/C25H23F2N5O3/c1-25(34)11-15(12-25)32-22(28)20(23(29)33)21(31-32)14-7-8-16-18(9-14)30-17(10-19(16)35-24(26)27)13-5-3-2-4-6-13/h2-10,15,24,34H,11-12,28H2,1H3,(H2,29,33)
InChIKeyMAJYLXUAVQGPGI-UHFFFAOYSA-N
XLogP4.13
TPSA129.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-1-(3-amino-3-hydroxycyclobutyl)-3-[4-(difluoromethoxy)-2-phenylquinolin-7-yl]pyrazole-4-carboxamide
CID 170094310
5-amino-3-[2-(2-fluorophenyl)quinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide
CID 170094248
5-amino-1-(3-hydroxy-3-methylcyclobutyl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)quinolin-7-yl]pyrazole-4-carboxamide
CID 170094942
5-amino-3-(4-bromophenyl)-1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide
CID 129247929
5-amino-1-cyclopentyl-3-[4-[1-hydroxy-2-[(2-methoxybenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide
CID 129248254
1-(4-methoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 71763143
5-amino-3-(3-chloro-4-propan-2-yloxyphenyl)-1-(1-prop-2-enoylpiperidin-4-yl)pyrazole-4-carboxamide
CID 123810203
5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-[(1S,5R)-1-methyl-3-bicyclo[3.1.0]hexanyl]pyrazole-4-carboxamide
CID 163472130
5-amino-3-[3-fluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 129248228
5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 163600712
(E)-3-amino-3-(8-fluoro-4-methoxy-2-phenylquinolin-7-yl)-2-[N'-(3-hydroxy-3-methylcyclobutyl)carbamimidoyl]prop-2-enamide
CID 169130454
5-amino-1-(1-but-2-ynoylazonan-5-yl)-3-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]pyrazole-4-carboxamide
CID 123938179

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-(difluoromethoxy)-2-phenylquinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[4-(difluoromethoxy)-2-phenylquinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide (CID 169130763) is 5-amino-3-[4-(difluoromethoxy)-2-phenylquinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[4-(difluoromethoxy)-2-phenylquinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[4-(difluoromethoxy)-2-phenylquinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide is CC1(O)CC(n2nc(-c3ccc4c(OC(F)F)cc(-c5ccccc5)nc4c3)c(C(N)=O)c2N)C1.
What is the InChIKey of 5-amino-3-[4-(difluoromethoxy)-2-phenylquinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide?
The InChIKey is MAJYLXUAVQGPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O3/c1-25(34)11-15(12-25)32-22(28)20(23(29)33)21(31-32)14-7-8-16-18(9-14)30-17(10-19(16)35-24(26)27)13-5-3-2-4-6-13/h2-10,15,24,34H,11-12,28H2,1H3,(H2,29,33).
What are the key properties of 5-amino-3-[4-(difluoromethoxy)-2-phenylquinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide?
5-amino-3-[4-(difluoromethoxy)-2-phenylquinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide has a molecular weight of 479.49 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-(difluoromethoxy)-2-phenylquinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide is sourced from PubChem (CID 169130763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).