(4-methylpiperazin-1-yl)-[5-(6-pyrazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone

C19H23N9O — CID 50975910

IUPAC(4-methylpiperazin-1-yl)-[5-(6-pyrazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone
SMILESCN1CCN(C(=O)c2cc3n(n2)CCN(c2cc(-n4cccn4)ncn2)C3)CC1
InChIInChI=1S/C19H23N9O/c1-24-5-7-25(8-6-24)19(29)16-11-15-13-26(9-10-27(15)23-16)17-12-18(21-14-20-17)28-4-2-3-22-28/h2-4,11-12,14H,5-10,13H2,1H3
InChIKeyWLLJCWLBCPLYGQ-UHFFFAOYSA-N
MW393.46 g/mol
LogP0.27
Rot. Bonds3

About (4-methylpiperazin-1-yl)-[5-(6-pyrazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone

(4-methylpiperazin-1-yl)-[5-(6-pyrazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone (PubChem CID 50975910) has the molecular formula C19H23N9O and a molecular weight of 393.46 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[5-(6-pyrazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[5-(6-pyrazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone
PubChem CID50975910
Molecular FormulaC19H23N9O
Molecular Weight393.46 g/mol
Exact Mass393.20
IUPAC Name(4-methylpiperazin-1-yl)-[5-(6-pyrazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone
SMILESCN1CCN(C(=O)c2cc3n(n2)CCN(c2cc(-n4cccn4)ncn2)C3)CC1
InChIInChI=1S/C19H23N9O/c1-24-5-7-25(8-6-24)19(29)16-11-15-13-26(9-10-27(15)23-16)17-12-18(21-14-20-17)28-4-2-3-22-28/h2-4,11-12,14H,5-10,13H2,1H3
InChIKeyWLLJCWLBCPLYGQ-UHFFFAOYSA-N
XLogP0.27
TPSA88.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (4-methylpiperazin-1-yl)-[5-(6-pyrazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[5-(6-pyrazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[5-(6-pyrazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone (CID 50975910) is (4-methylpiperazin-1-yl)-[5-(6-pyrazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[5-(6-pyrazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[5-(6-pyrazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone is CN1CCN(C(=O)c2cc3n(n2)CCN(c2cc(-n4cccn4)ncn2)C3)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[5-(6-pyrazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone?
The InChIKey is WLLJCWLBCPLYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N9O/c1-24-5-7-25(8-6-24)19(29)16-11-15-13-26(9-10-27(15)23-16)17-12-18(21-14-20-17)28-4-2-3-22-28/h2-4,11-12,14H,5-10,13H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[5-(6-pyrazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone?
(4-methylpiperazin-1-yl)-[5-(6-pyrazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone has a molecular weight of 393.46 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[5-(6-pyrazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 50975910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).