(4-methylpiperazin-1-yl)-[2-(6-pyridin-4-ylindolizin-3-yl)pyrazol-3-yl]methanone

C22H22N6O — CID 97447266

IUPAC(4-methylpiperazin-1-yl)-[2-(6-pyridin-4-ylindolizin-3-yl)pyrazol-3-yl]methanone
SMILESCN1CCN(C(=O)c2ccnn2-c2ccc3ccc(-c4ccncc4)cn23)CC1
InChIInChI=1S/C22H22N6O/c1-25-12-14-26(15-13-25)22(29)20-8-11-24-28(20)21-5-4-19-3-2-18(16-27(19)21)17-6-9-23-10-7-17/h2-11,16H,12-15H2,1H3
InChIKeyPQTJNHIIVKNSQE-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.57
Rot. Bonds3

About (4-methylpiperazin-1-yl)-[2-(6-pyridin-4-ylindolizin-3-yl)pyrazol-3-yl]methanone

(4-methylpiperazin-1-yl)-[2-(6-pyridin-4-ylindolizin-3-yl)pyrazol-3-yl]methanone (PubChem CID 97447266) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[2-(6-pyridin-4-ylindolizin-3-yl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[2-(6-pyridin-4-ylindolizin-3-yl)pyrazol-3-yl]methanone
PubChem CID97447266
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name(4-methylpiperazin-1-yl)-[2-(6-pyridin-4-ylindolizin-3-yl)pyrazol-3-yl]methanone
SMILESCN1CCN(C(=O)c2ccnn2-c2ccc3ccc(-c4ccncc4)cn23)CC1
InChIInChI=1S/C22H22N6O/c1-25-12-14-26(15-13-25)22(29)20-8-11-24-28(20)21-5-4-19-3-2-18(16-27(19)21)17-6-9-23-10-7-17/h2-11,16H,12-15H2,1H3
InChIKeyPQTJNHIIVKNSQE-UHFFFAOYSA-N
XLogP2.57
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[2-(6-pyridin-4-ylindolizin-3-yl)pyrazol-3-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[2-(6-pyridin-4-ylindolizin-3-yl)pyrazol-3-yl]methanone (CID 97447266) is (4-methylpiperazin-1-yl)-[2-(6-pyridin-4-ylindolizin-3-yl)pyrazol-3-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[2-(6-pyridin-4-ylindolizin-3-yl)pyrazol-3-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[2-(6-pyridin-4-ylindolizin-3-yl)pyrazol-3-yl]methanone is CN1CCN(C(=O)c2ccnn2-c2ccc3ccc(-c4ccncc4)cn23)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[2-(6-pyridin-4-ylindolizin-3-yl)pyrazol-3-yl]methanone?
The InChIKey is PQTJNHIIVKNSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-25-12-14-26(15-13-25)22(29)20-8-11-24-28(20)21-5-4-19-3-2-18(16-27(19)21)17-6-9-23-10-7-17/h2-11,16H,12-15H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[2-(6-pyridin-4-ylindolizin-3-yl)pyrazol-3-yl]methanone?
(4-methylpiperazin-1-yl)-[2-(6-pyridin-4-ylindolizin-3-yl)pyrazol-3-yl]methanone has a molecular weight of 386.46 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[2-(6-pyridin-4-ylindolizin-3-yl)pyrazol-3-yl]methanone is sourced from PubChem (CID 97447266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).