[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

C17H18ClN7O — CID 167772642

IUPAC[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1cc(C)n2ncc(C(=O)N3CCN(c4ccc(Cl)nn4)CC3)c2n1
InChIInChI=1S/C17H18ClN7O/c1-11-9-12(2)25-16(20-11)13(10-19-25)17(26)24-7-5-23(6-8-24)15-4-3-14(18)21-22-15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyZTGPCWWKIFTMAO-UHFFFAOYSA-N
MW371.83 g/mol
LogP1.75
Rot. Bonds2

About [4-(6-chloropyridazin-3-yl)piperazin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 167772642) has the molecular formula C17H18ClN7O and a molecular weight of 371.83 g/mol. Its IUPAC name is [4-(6-chloropyridazin-3-yl)piperazin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID167772642
Molecular FormulaC17H18ClN7O
Molecular Weight371.83 g/mol
Exact Mass371.13
IUPAC Name[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1cc(C)n2ncc(C(=O)N3CCN(c4ccc(Cl)nn4)CC3)c2n1
InChIInChI=1S/C17H18ClN7O/c1-11-9-12(2)25-16(20-11)13(10-19-25)17(26)24-7-5-23(6-8-24)15-4-3-14(18)21-22-15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyZTGPCWWKIFTMAO-UHFFFAOYSA-N
XLogP1.75
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-morpholin-4-ylmethanone
CID 17060260
(3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 42952771
4-[[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 34977953
N-(2-chlorophenyl)-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide
CID 39624781
2-azaspiro[3.4]octan-2-yl-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 139010063
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427136
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680164
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19441921
[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 2056148
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone
CID 51725471
5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 121320776
(2,4-dichlorophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121034163

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloropyridazin-3-yl)piperazin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of [4-(6-chloropyridazin-3-yl)piperazin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 167772642) is [4-(6-chloropyridazin-3-yl)piperazin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for [4-(6-chloropyridazin-3-yl)piperazin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for [4-(6-chloropyridazin-3-yl)piperazin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is Cc1cc(C)n2ncc(C(=O)N3CCN(c4ccc(Cl)nn4)CC3)c2n1.
What is the InChIKey of [4-(6-chloropyridazin-3-yl)piperazin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is ZTGPCWWKIFTMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN7O/c1-11-9-12(2)25-16(20-11)13(10-19-25)17(26)24-7-5-23(6-8-24)15-4-3-14(18)21-22-15/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of [4-(6-chloropyridazin-3-yl)piperazin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 371.83 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloropyridazin-3-yl)piperazin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 167772642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).