N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

C20H18N6O2 — CID 55515849

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)c3nn(-c4ccccc4)c(C)cc3=O)cc12
InChIInChI=1S/C20H18N6O2/c1-12-9-17(27)18(24-26(12)15-7-5-4-6-8-15)20(28)22-14-10-16-13(2)23-25(3)19(16)21-11-14/h4-11H,1-3H3,(H,22,28)
InChIKeyWNCOBHVGSFMGAP-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.38
Rot. Bonds3

About N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 55515849) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID55515849
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)c3nn(-c4ccccc4)c(C)cc3=O)cc12
InChIInChI=1S/C20H18N6O2/c1-12-9-17(27)18(24-26(12)15-7-5-4-6-8-15)20(28)22-14-10-16-13(2)23-25(3)19(16)21-11-14/h4-11H,1-3H3,(H,22,28)
InChIKeyWNCOBHVGSFMGAP-UHFFFAOYSA-N
XLogP2.38
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134024964
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4-hydroxy-1-(3-methylphenyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-6-oxopyridazine-3-carboxamide
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CID 27163514
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(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea
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5-methyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-phenylpyrazole-4-carboxamide
CID 108730123
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)quinoline-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (CID 55515849) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is Cc1nn(C)c2ncc(NC(=O)c3nn(-c4ccccc4)c(C)cc3=O)cc12.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is WNCOBHVGSFMGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-12-9-17(27)18(24-26(12)15-7-5-4-6-8-15)20(28)22-14-10-16-13(2)23-25(3)19(16)21-11-14/h4-11H,1-3H3,(H,22,28).
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 55515849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).