N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(8-fluoro-3-methylquinolin-6-yl)methyl]-5-methylpyrazole-4-carboxamide

C24H25FN6O — CID 145441034

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(8-fluoro-3-methylquinolin-6-yl)methyl]-5-methylpyrazole-4-carboxamide
SMILESCc1cnc2c(F)cc(Cn3ncc(C(=O)NCc4c(C)cc(N)nc4C)c3C)cc2c1
InChIInChI=1S/C24H25FN6O/c1-13-5-18-7-17(8-21(25)23(18)27-9-13)12-31-16(4)20(11-29-31)24(32)28-10-19-14(2)6-22(26)30-15(19)3/h5-9,11H,10,12H2,1-4H3,(H2,26,30)(H,28,32)
InChIKeyYKPFXFZXMVTADC-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.76
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(8-fluoro-3-methylquinolin-6-yl)methyl]-5-methylpyrazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(8-fluoro-3-methylquinolin-6-yl)methyl]-5-methylpyrazole-4-carboxamide (PubChem CID 145441034) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(8-fluoro-3-methylquinolin-6-yl)methyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(8-fluoro-3-methylquinolin-6-yl)methyl]-5-methylpyrazole-4-carboxamide
PubChem CID145441034
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(8-fluoro-3-methylquinolin-6-yl)methyl]-5-methylpyrazole-4-carboxamide
SMILESCc1cnc2c(F)cc(Cn3ncc(C(=O)NCc4c(C)cc(N)nc4C)c3C)cc2c1
InChIInChI=1S/C24H25FN6O/c1-13-5-18-7-17(8-21(25)23(18)27-9-13)12-31-16(4)20(11-29-31)24(32)28-10-19-14(2)6-22(26)30-15(19)3/h5-9,11H,10,12H2,1-4H3,(H2,26,30)(H,28,32)
InChIKeyYKPFXFZXMVTADC-UHFFFAOYSA-N
XLogP3.76
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(8-fluoro-3-methylquinolin-6-yl)methyl]-5-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(difluoromethyl)-1,3-oxazole-5-carboxamide
CID 139330009
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxamide
CID 118665436
6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxylic acid;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methane;methyl 6-[(4-methoxycarbonyl-2-pyridinyl)methyl]-3-methylquinoline-8-carboxylate
CID 160671400
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide
CID 66723765
6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-3-cyanopyrazol-1-yl]methyl]-3-chloroquinoline-8-carboxamide
CID 134178607
N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide
CID 90280115
bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4-methylpyridin-2-amine;methyl 2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylate
CID 159457287
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide
CID 134178248
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 56836781
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide
CID 134178441
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-[(5-methylpyrazol-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide
CID 58081254
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 142714628

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(8-fluoro-3-methylquinolin-6-yl)methyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(8-fluoro-3-methylquinolin-6-yl)methyl]-5-methylpyrazole-4-carboxamide (CID 145441034) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(8-fluoro-3-methylquinolin-6-yl)methyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(8-fluoro-3-methylquinolin-6-yl)methyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(8-fluoro-3-methylquinolin-6-yl)methyl]-5-methylpyrazole-4-carboxamide is Cc1cnc2c(F)cc(Cn3ncc(C(=O)NCc4c(C)cc(N)nc4C)c3C)cc2c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(8-fluoro-3-methylquinolin-6-yl)methyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is YKPFXFZXMVTADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-13-5-18-7-17(8-21(25)23(18)27-9-13)12-31-16(4)20(11-29-31)24(32)28-10-19-14(2)6-22(26)30-15(19)3/h5-9,11H,10,12H2,1-4H3,(H2,26,30)(H,28,32).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(8-fluoro-3-methylquinolin-6-yl)methyl]-5-methylpyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(8-fluoro-3-methylquinolin-6-yl)methyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(8-fluoro-3-methylquinolin-6-yl)methyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 145441034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).