(7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone

C19H22N6O — CID 53040574

IUPAC(7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCN(C)CC2)nc2cc(-c3ccccn3)nn12
InChIInChI=1S/C19H22N6O/c1-3-14-12-17(19(26)24-10-8-23(2)9-11-24)21-18-13-16(22-25(14)18)15-6-4-5-7-20-15/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyOROBBDAZWDESIO-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.74
Rot. Bonds3

About (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone

(7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 53040574) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID53040574
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name(7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCN(C)CC2)nc2cc(-c3ccccn3)nn12
InChIInChI=1S/C19H22N6O/c1-3-14-12-17(19(26)24-10-8-23(2)9-11-24)21-18-13-16(22-25(14)18)15-6-4-5-7-20-15/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyOROBBDAZWDESIO-UHFFFAOYSA-N
XLogP1.74
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone
CID 53040610
azepan-1-yl-(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 53175345
(7-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-morpholin-4-ylmethanone
CID 53040628
7-ethyl-N-(4-methoxyphenyl)-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040584
N-butan-2-yl-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53175339
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110849860
(4-methylpiperazin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-pyridin-2-ylpyrazol-3-yl]methanone
CID 143176023
N-cyclopentyl-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53175354
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 122340982
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 55652947
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 46079607
N,N-diethyl-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084314

Frequently Asked Questions

What is the IUPAC name of (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone (CID 53040574) is (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone is CCc1cc(C(=O)N2CCN(C)CC2)nc2cc(-c3ccccn3)nn12.
What is the InChIKey of (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is OROBBDAZWDESIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-3-14-12-17(19(26)24-10-8-23(2)9-11-24)21-18-13-16(22-25(14)18)15-6-4-5-7-20-15/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone?
(7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 350.43 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 53040574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).