(4-methylpiperazin-1-yl)-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone

C16H22N6OS — CID 97389001

IUPAC(4-methylpiperazin-1-yl)-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
SMILESCN1CCN(C(=O)c2n[nH]c3c2CCN(Cc2nccs2)C3)CC1
InChIInChI=1S/C16H22N6OS/c1-20-5-7-22(8-6-20)16(23)15-12-2-4-21(10-13(12)18-19-15)11-14-17-3-9-24-14/h3,9H,2,4-8,10-11H2,1H3,(H,18,19)
InChIKeyAXLZQELTFANSKQ-UHFFFAOYSA-N
MW346.46 g/mol
LogP0.81
Rot. Bonds3

About (4-methylpiperazin-1-yl)-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone

(4-methylpiperazin-1-yl)-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone (PubChem CID 97389001) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
PubChem CID97389001
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name(4-methylpiperazin-1-yl)-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
SMILESCN1CCN(C(=O)c2n[nH]c3c2CCN(Cc2nccs2)C3)CC1
InChIInChI=1S/C16H22N6OS/c1-20-5-7-22(8-6-20)16(23)15-12-2-4-21(10-13(12)18-19-15)11-14-17-3-9-24-14/h3,9H,2,4-8,10-11H2,1H3,(H,18,19)
InChIKeyAXLZQELTFANSKQ-UHFFFAOYSA-N
XLogP0.81
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone (CID 97389001) is (4-methylpiperazin-1-yl)-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone is CN1CCN(C(=O)c2n[nH]c3c2CCN(Cc2nccs2)C3)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone?
The InChIKey is AXLZQELTFANSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-20-5-7-22(8-6-20)16(23)15-12-2-4-21(10-13(12)18-19-15)11-14-17-3-9-24-14/h3,9H,2,4-8,10-11H2,1H3,(H,18,19).
What are the key properties of (4-methylpiperazin-1-yl)-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone?
(4-methylpiperazin-1-yl)-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone has a molecular weight of 346.46 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone is sourced from PubChem (CID 97389001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).