2-chloro-N-[4-(1,2-dihydropyridazine-4-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide

C19H19ClN6O2 — CID 135130757

IUPAC2-chloro-N-[4-(1,2-dihydropyridazine-4-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
SMILESCn1ncc2c1C(NC(=O)c1ccccc1Cl)CCN2C(=O)C1=CNNC=C1
InChIInChI=1S/C19H19ClN6O2/c1-25-17-15(24-18(27)13-4-2-3-5-14(13)20)7-9-26(16(17)11-23-25)19(28)12-6-8-21-22-10-12/h2-6,8,10-11,15,21-22H,7,9H2,1H3,(H,24,27)
InChIKeyHIAQTIARDRXBIF-UHFFFAOYSA-N
MW398.85 g/mol
LogP1.79
Rot. Bonds3

About 2-chloro-N-[4-(1,2-dihydropyridazine-4-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide

2-chloro-N-[4-(1,2-dihydropyridazine-4-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide (PubChem CID 135130757) has the molecular formula C19H19ClN6O2 and a molecular weight of 398.85 g/mol. Its IUPAC name is 2-chloro-N-[4-(1,2-dihydropyridazine-4-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(1,2-dihydropyridazine-4-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
PubChem CID135130757
Molecular FormulaC19H19ClN6O2
Molecular Weight398.85 g/mol
Exact Mass398.13
IUPAC Name2-chloro-N-[4-(1,2-dihydropyridazine-4-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
SMILESCn1ncc2c1C(NC(=O)c1ccccc1Cl)CCN2C(=O)C1=CNNC=C1
InChIInChI=1S/C19H19ClN6O2/c1-25-17-15(24-18(27)13-4-2-3-5-14(13)20)7-9-26(16(17)11-23-25)19(28)12-6-8-21-22-10-12/h2-6,8,10-11,15,21-22H,7,9H2,1H3,(H,24,27)
InChIKeyHIAQTIARDRXBIF-UHFFFAOYSA-N
XLogP1.79
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[1-methyl-4-(3,4,5-trifluorobenzoyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278405
2-chloro-N-[4-(2,5-dimethylpyrazole-3-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278554
2-chloro-N-[1-methyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278902
2-chloro-N-[1-methyl-4-(3-methylsulfonylbenzoyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278941
2-chloro-N-[4-(2-methoxypyridine-4-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278343
2-chloro-N-[4-(3-chloro-4-methoxybenzoyl)-1-cyclopentyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278958
N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-fluorobenzamide
CID 134278979
2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1-[(3-methyloxetan-3-yl)methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278759
2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278359
N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-1,3-thiazole-2-carboxamide
CID 134278366
2-chloro-N-[7-chloro-1-(6-chloropyridine-3-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-4-yl]benzamide
CID 134278752
2-chloro-N-[7-chloro-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide
CID 134278889

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(1,2-dihydropyridazine-4-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide?
The IUPAC name of 2-chloro-N-[4-(1,2-dihydropyridazine-4-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide (CID 135130757) is 2-chloro-N-[4-(1,2-dihydropyridazine-4-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(1,2-dihydropyridazine-4-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(1,2-dihydropyridazine-4-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide is Cn1ncc2c1C(NC(=O)c1ccccc1Cl)CCN2C(=O)C1=CNNC=C1.
What is the InChIKey of 2-chloro-N-[4-(1,2-dihydropyridazine-4-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide?
The InChIKey is HIAQTIARDRXBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O2/c1-25-17-15(24-18(27)13-4-2-3-5-14(13)20)7-9-26(16(17)11-23-25)19(28)12-6-8-21-22-10-12/h2-6,8,10-11,15,21-22H,7,9H2,1H3,(H,24,27).
What are the key properties of 2-chloro-N-[4-(1,2-dihydropyridazine-4-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide?
2-chloro-N-[4-(1,2-dihydropyridazine-4-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide has a molecular weight of 398.85 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(1,2-dihydropyridazine-4-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide is sourced from PubChem (CID 135130757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).