1,3-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H22N6O — CID 55500586

IUPAC1,3-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3nc4ccccc4n3C)c12
InChIInChI=1S/C24H22N6O/c1-15-22-17(13-19(16-9-5-4-6-10-16)27-23(22)30(3)28-15)24(31)25-14-21-26-18-11-7-8-12-20(18)29(21)2/h4-13H,14H2,1-3H3,(H,25,31)
InChIKeyMLGIQRBGFHSFCY-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.76
Rot. Bonds4

About 1,3-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55500586) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55500586
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name1,3-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3nc4ccccc4n3C)c12
InChIInChI=1S/C24H22N6O/c1-15-22-17(13-19(16-9-5-4-6-10-16)27-23(22)30(3)28-15)24(31)25-14-21-26-18-11-7-8-12-20(18)29(21)2/h4-13H,14H2,1-3H3,(H,25,31)
InChIKeyMLGIQRBGFHSFCY-UHFFFAOYSA-N
XLogP3.76
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56763090
1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 36714359
1,3-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 48733516
1,3-dimethyl-6-phenyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 154806949
N-(3-amino-2-methylpropyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119997751
1,3-dimethyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55586897
N-(2-amino-2-ethylbutyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119641473
N-[2-(4-methoxyphenoxy)ethyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46442920
1,3-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55522873
N-(3-chlorophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166199194
N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55619038
1,3-dimethyl-N-(4-morpholin-4-ylbutyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55811199

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55500586) is 1,3-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3nc4ccccc4n3C)c12.
What is the InChIKey of 1,3-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MLGIQRBGFHSFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-15-22-17(13-19(16-9-5-4-6-10-16)27-23(22)30(3)28-15)24(31)25-14-21-26-18-11-7-8-12-20(18)29(21)2/h4-13H,14H2,1-3H3,(H,25,31).
What are the key properties of 1,3-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
1,3-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55500586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).