1-methyl-4-[(2-methylquinolin-7-yl)methyl-(3-pyridin-2-ylpropanoyl)amino]pyrazole-3-carboxamide

C24H24N6O2 — CID 171501116

IUPAC1-methyl-4-[(2-methylquinolin-7-yl)methyl-(3-pyridin-2-ylpropanoyl)amino]pyrazole-3-carboxamide
SMILESCc1ccc2ccc(CN(C(=O)CCc3ccccn3)c3cn(C)nc3C(N)=O)cc2n1
InChIInChI=1S/C24H24N6O2/c1-16-6-8-18-9-7-17(13-20(18)27-16)14-30(21-15-29(2)28-23(21)24(25)32)22(31)11-10-19-5-3-4-12-26-19/h3-9,12-13,15H,10-11,14H2,1-2H3,(H2,25,32)
InChIKeyGLSUWUMRXDAHRW-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.94
Rot. Bonds7

About 1-methyl-4-[(2-methylquinolin-7-yl)methyl-(3-pyridin-2-ylpropanoyl)amino]pyrazole-3-carboxamide

1-methyl-4-[(2-methylquinolin-7-yl)methyl-(3-pyridin-2-ylpropanoyl)amino]pyrazole-3-carboxamide (PubChem CID 171501116) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-methyl-4-[(2-methylquinolin-7-yl)methyl-(3-pyridin-2-ylpropanoyl)amino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[(2-methylquinolin-7-yl)methyl-(3-pyridin-2-ylpropanoyl)amino]pyrazole-3-carboxamide
PubChem CID171501116
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name1-methyl-4-[(2-methylquinolin-7-yl)methyl-(3-pyridin-2-ylpropanoyl)amino]pyrazole-3-carboxamide
SMILESCc1ccc2ccc(CN(C(=O)CCc3ccccn3)c3cn(C)nc3C(N)=O)cc2n1
InChIInChI=1S/C24H24N6O2/c1-16-6-8-18-9-7-17(13-20(18)27-16)14-30(21-15-29(2)28-23(21)24(25)32)22(31)11-10-19-5-3-4-12-26-19/h3-9,12-13,15H,10-11,14H2,1-2H3,(H2,25,32)
InChIKeyGLSUWUMRXDAHRW-UHFFFAOYSA-N
XLogP2.94
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-[(2-methylquinolin-7-yl)methyl-(3-pyridin-2-ylpropanoyl)amino]pyrazole-3-carboxamide with MolForge

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Related Compounds

(E)-2-amino-4-methylimino-3-[(2-methylquinolin-7-yl)methyl-(3-pyridin-2-ylpropanoyl)amino]but-2-enoic acid
CID 171501406
N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide
CID 171501797
N-[(2-methylquinolin-6-yl)methyl]-N-(pyridin-2-ylmethyl)propan-2-amine
CID 166231097
N-(3,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropanamide
CID 122159923
N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide
CID 171501824
1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one
CID 103023920
2-(2-methylindazol-6-yl)-1-pyridin-2-ylethanone
CID 159057386
N-[(2-aminoquinolin-7-yl)methyl]-2-methoxy-N-(2-methylsulfonyl-3-pyridinyl)acetamide
CID 171502057
N-(1,3-benzodioxol-5-ylmethyl)-N-(2-pyridin-2-ylethyl)butanamide
CID 42724828
4-chloro-1-methyl-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 74248019
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
methyl 3-[ethyl(3-pyridin-2-ylpropanoyl)amino]propanoate
CID 78981122

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2-methylquinolin-7-yl)methyl-(3-pyridin-2-ylpropanoyl)amino]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-4-[(2-methylquinolin-7-yl)methyl-(3-pyridin-2-ylpropanoyl)amino]pyrazole-3-carboxamide (CID 171501116) is 1-methyl-4-[(2-methylquinolin-7-yl)methyl-(3-pyridin-2-ylpropanoyl)amino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-4-[(2-methylquinolin-7-yl)methyl-(3-pyridin-2-ylpropanoyl)amino]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-4-[(2-methylquinolin-7-yl)methyl-(3-pyridin-2-ylpropanoyl)amino]pyrazole-3-carboxamide is Cc1ccc2ccc(CN(C(=O)CCc3ccccn3)c3cn(C)nc3C(N)=O)cc2n1.
What is the InChIKey of 1-methyl-4-[(2-methylquinolin-7-yl)methyl-(3-pyridin-2-ylpropanoyl)amino]pyrazole-3-carboxamide?
The InChIKey is GLSUWUMRXDAHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-16-6-8-18-9-7-17(13-20(18)27-16)14-30(21-15-29(2)28-23(21)24(25)32)22(31)11-10-19-5-3-4-12-26-19/h3-9,12-13,15H,10-11,14H2,1-2H3,(H2,25,32).
What are the key properties of 1-methyl-4-[(2-methylquinolin-7-yl)methyl-(3-pyridin-2-ylpropanoyl)amino]pyrazole-3-carboxamide?
1-methyl-4-[(2-methylquinolin-7-yl)methyl-(3-pyridin-2-ylpropanoyl)amino]pyrazole-3-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-methylquinolin-7-yl)methyl-(3-pyridin-2-ylpropanoyl)amino]pyrazole-3-carboxamide is sourced from PubChem (CID 171501116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).