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

C25H25N5O — CID 167824044

IUPAC1,3-dimethyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC3CN(C)Cc4ccccc43)c12
InChIInChI=1S/C25H25N5O/c1-16-23-20(13-21(17-9-5-4-6-10-17)26-24(23)30(3)28-16)25(31)27-22-15-29(2)14-18-11-7-8-12-19(18)22/h4-13,22H,14-15H2,1-3H3,(H,27,31)
InChIKeySEUMRPXVURAGLL-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.86
Rot. Bonds3

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

1,3-dimethyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 167824044) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID167824044
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name1,3-dimethyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC3CN(C)Cc4ccccc43)c12
InChIInChI=1S/C25H25N5O/c1-16-23-20(13-21(17-9-5-4-6-10-17)26-24(23)30(3)28-16)25(31)27-22-15-29(2)14-18-11-7-8-12-19(18)22/h4-13,22H,14-15H2,1-3H3,(H,27,31)
InChIKeySEUMRPXVURAGLL-UHFFFAOYSA-N
XLogP3.86
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-6-phenyl-N-piperidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119426357
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CID 45148429
N-(2-hydroxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56763090
N-[4-(cyclopropanecarbonylamino)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26064895
1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852866
1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 146090748
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 111658866
2-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120531897
N-(3-chlorophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166199194
1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 139015887
1,3-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16606126
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 71753941

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 167824044) is 1,3-dimethyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC3CN(C)Cc4ccccc43)c12.
What is the InChIKey of 1,3-dimethyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SEUMRPXVURAGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-16-23-20(13-21(17-9-5-4-6-10-17)26-24(23)30(3)28-16)25(31)27-22-15-29(2)14-18-11-7-8-12-19(18)22/h4-13,22H,14-15H2,1-3H3,(H,27,31).
What are the key properties of 1,3-dimethyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
1,3-dimethyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 167824044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).