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

C24H20N6OS — CID 31171942

IUPAC1,3-dimethyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)sc1-c1ccccn1
InChIInChI=1S/C24H20N6OS/c1-14-20-17(13-19(16-9-5-4-6-10-16)27-22(20)30(3)29-14)23(31)28-24-26-15(2)21(32-24)18-11-7-8-12-25-18/h4-13H,1-3H3,(H,26,28,31)
InChIKeyMHSMWTQAVZCROP-UHFFFAOYSA-N
MW440.53 g/mol
LogP5.02
Rot. Bonds4

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

1,3-dimethyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 31171942) has the molecular formula C24H20N6OS and a molecular weight of 440.53 g/mol. Its IUPAC name is 1,3-dimethyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID31171942
Molecular FormulaC24H20N6OS
Molecular Weight440.53 g/mol
Exact Mass440.14
IUPAC Name1,3-dimethyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)sc1-c1ccccn1
InChIInChI=1S/C24H20N6OS/c1-14-20-17(13-19(16-9-5-4-6-10-16)27-22(20)30(3)29-14)23(31)28-24-26-15(2)21(32-24)18-11-7-8-12-25-18/h4-13H,1-3H3,(H,26,28,31)
InChIKeyMHSMWTQAVZCROP-UHFFFAOYSA-N
XLogP5.02
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.53
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 36714359
1,3-dimethyl-6-phenyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55783589
1,3-dimethyl-6-phenyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 139015895
1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 146090748
1,3-dimethyl-N-(6-methylquinolin-5-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 167984793
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55571789
N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36524540
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16622496
1,3-dimethyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166207441
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-6-phenyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55976200

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 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) is 1,3-dimethyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)sc1-c1ccccn1.
What is the InChIKey of 1,3-dimethyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MHSMWTQAVZCROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6OS/c1-14-20-17(13-19(16-9-5-4-6-10-16)27-22(20)30(3)29-14)23(31)28-24-26-15(2)21(32-24)18-11-7-8-12-25-18/h4-13H,1-3H3,(H,26,28,31).
What are the key properties of 1,3-dimethyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
1,3-dimethyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 31171942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).