4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenylpyrazolo[1,5-b]pyridazin-6-yl)pyrazole-5-carboxamide

C21H19N7O2 — CID 165415442

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenylpyrazolo[1,5-b]pyridazin-6-yl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccc2cc(-c3ccccc3)nn2n1
InChIInChI=1S/C21H19N7O2/c1-26-19(16(13-22-26)21(30)27-10-5-11-27)20(29)23-18-9-8-15-12-17(24-28(15)25-18)14-6-3-2-4-7-14/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,23,25,29)
InChIKeyDKIJNQKORSBTNB-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.23
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenylpyrazolo[1,5-b]pyridazin-6-yl)pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenylpyrazolo[1,5-b]pyridazin-6-yl)pyrazole-5-carboxamide (PubChem CID 165415442) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenylpyrazolo[1,5-b]pyridazin-6-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenylpyrazolo[1,5-b]pyridazin-6-yl)pyrazole-5-carboxamide
PubChem CID165415442
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenylpyrazolo[1,5-b]pyridazin-6-yl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccc2cc(-c3ccccc3)nn2n1
InChIInChI=1S/C21H19N7O2/c1-26-19(16(13-22-26)21(30)27-10-5-11-27)20(29)23-18-9-8-15-12-17(24-28(15)25-18)14-6-3-2-4-7-14/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,23,25,29)
InChIKeyDKIJNQKORSBTNB-UHFFFAOYSA-N
XLogP2.23
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377630
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377741
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 71288606
4-(azetidine-1-carbonyl)-N-[2-[5-(3-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288682
4-(azetidine-1-carbonyl)-1-methyl-N-{2-[3-phenyl-1-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-pyrazole-5-carboxamide
CID 71288719
N-(2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(3-fluoroazetidine-1-carbonyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 57377850
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377960
4-(3-fluoro-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (2-isopropyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57378066
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid {2-[(2-fluoro-ethyl)-methyl-amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl}-amide
CID 57378391
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(2-fluoro-pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67775398
4-(3-methoxy-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67775470

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenylpyrazolo[1,5-b]pyridazin-6-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenylpyrazolo[1,5-b]pyridazin-6-yl)pyrazole-5-carboxamide (CID 165415442) is 4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenylpyrazolo[1,5-b]pyridazin-6-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenylpyrazolo[1,5-b]pyridazin-6-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenylpyrazolo[1,5-b]pyridazin-6-yl)pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccc2cc(-c3ccccc3)nn2n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenylpyrazolo[1,5-b]pyridazin-6-yl)pyrazole-5-carboxamide?
The InChIKey is DKIJNQKORSBTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c1-26-19(16(13-22-26)21(30)27-10-5-11-27)20(29)23-18-9-8-15-12-17(24-28(15)25-18)14-6-3-2-4-7-14/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,23,25,29).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenylpyrazolo[1,5-b]pyridazin-6-yl)pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenylpyrazolo[1,5-b]pyridazin-6-yl)pyrazole-5-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenylpyrazolo[1,5-b]pyridazin-6-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 165415442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).