1,3-dimethyl-6-phenyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C22H18N6OS — CID 55976200

IUPAC1,3-dimethyl-6-phenyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cc(-c4cccs4)[nH]n3)c12
InChIInChI=1S/C22H18N6OS/c1-13-20-15(22(29)24-19-12-17(25-26-19)18-9-6-10-30-18)11-16(14-7-4-3-5-8-14)23-21(20)28(2)27-13/h3-12H,1-2H3,(H2,24,25,26,29)
InChIKeyQPIVYVYYVBMQPX-UHFFFAOYSA-N
MW414.49 g/mol
LogP4.65
Rot. Bonds4

About 1,3-dimethyl-6-phenyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-6-phenyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55976200) has the molecular formula C22H18N6OS and a molecular weight of 414.49 g/mol. Its IUPAC name is 1,3-dimethyl-6-phenyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-6-phenyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55976200
Molecular FormulaC22H18N6OS
Molecular Weight414.49 g/mol
Exact Mass414.13
IUPAC Name1,3-dimethyl-6-phenyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cc(-c4cccs4)[nH]n3)c12
InChIInChI=1S/C22H18N6OS/c1-13-20-15(22(29)24-19-12-17(25-26-19)18-9-6-10-30-18)11-16(14-7-4-3-5-8-14)23-21(20)28(2)27-13/h3-12H,1-2H3,(H2,24,25,26,29)
InChIKeyQPIVYVYYVBMQPX-UHFFFAOYSA-N
XLogP4.65
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 139015887
1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 146090748
1,3-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822456
2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119348272
N-(3-chlorophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166199194
1,3-dimethyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31171942
1,3-dimethyl-6-phenyl-N-(1-pyridin-4-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51322660
1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 36714359
N-(2-hydroxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56763090
1,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55737389
2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 120702259
N-[4-(cyclopropanecarbonylamino)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26064895

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-phenyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-6-phenyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55976200) is 1,3-dimethyl-6-phenyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-6-phenyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-6-phenyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cc(-c4cccs4)[nH]n3)c12.
What is the InChIKey of 1,3-dimethyl-6-phenyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QPIVYVYYVBMQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6OS/c1-13-20-15(22(29)24-19-12-17(25-26-19)18-9-6-10-30-18)11-16(14-7-4-3-5-8-14)23-21(20)28(2)27-13/h3-12H,1-2H3,(H2,24,25,26,29).
What are the key properties of 1,3-dimethyl-6-phenyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
1,3-dimethyl-6-phenyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-phenyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55976200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).