5-benzyl-1-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrazole-4-carboxamide

C20H20N6O — CID 166341062

IUPAC5-benzyl-1-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCc2cnc3c(cnn3C)c2)c1Cc1ccccc1
InChIInChI=1S/C20H20N6O/c1-25-18(9-14-6-4-3-5-7-14)17(13-24-25)20(27)22-11-15-8-16-12-23-26(2)19(16)21-10-15/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,27)
InChIKeyVUAJADIVOFEWRS-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.22
Rot. Bonds5

About 5-benzyl-1-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrazole-4-carboxamide

5-benzyl-1-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrazole-4-carboxamide (PubChem CID 166341062) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-benzyl-1-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-benzyl-1-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrazole-4-carboxamide
PubChem CID166341062
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name5-benzyl-1-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCc2cnc3c(cnn3C)c2)c1Cc1ccccc1
InChIInChI=1S/C20H20N6O/c1-25-18(9-14-6-4-3-5-7-14)17(13-24-25)20(27)22-11-15-8-16-12-23-26(2)19(16)21-10-15/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,27)
InChIKeyVUAJADIVOFEWRS-UHFFFAOYSA-N
XLogP2.22
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-benzyl-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrazole-4-carboxamide
CID 166233967
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CID 167833868
5-benzyl-1-methyl-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 170040077
5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
CID 13174826
2-[(5-benzyl-1-methylpyrazole-4-carbonyl)amino]quinoline-4-carboxamide
CID 167973640
5-benzyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide
CID 166233654
5-benzyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 100674495
N-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-benzyl-1-methylpyrazole-4-carboxamide
CID 166327534
5-benzyl-N-[[4-(6-methoxy-3H-benzimidazol-1-ium-1-yl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 169300421
3-[4-[[(5-benzyl-1-methylpyrazole-4-carbonyl)amino]methyl]phenyl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide
CID 170040091
5-benzyl-N-[(8-hydroxyspiro[3.4]octan-7-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 166281887
1-(1-benzylpyrazolo[5,4-b]pyridin-5-yl)-N-methylmethanamine
CID 63772569

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-benzyl-1-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrazole-4-carboxamide (CID 166341062) is 5-benzyl-1-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-benzyl-1-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-benzyl-1-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrazole-4-carboxamide is Cn1ncc(C(=O)NCc2cnc3c(cnn3C)c2)c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-1-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is VUAJADIVOFEWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-25-18(9-14-6-4-3-5-7-14)17(13-24-25)20(27)22-11-15-8-16-12-23-26(2)19(16)21-10-15/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,27).
What are the key properties of 5-benzyl-1-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrazole-4-carboxamide?
5-benzyl-1-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 166341062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).