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

C16H22N6OS — CID 97388961

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

(4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone (PubChem CID 97388961) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone.

Molecular Properties

• Compound Name: (4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
• PubChem CID: 97388961
• Molecular Formula: C16H22N6OS
• Molecular Weight: 346.46 g/mol
• Exact Mass: 346.16
• IUPAC Name: (4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
• SMILES: CN1CCN(C(=O)c2n[nH]c3c2CN(Cc2nccs2)CC3)CC1
• InChI: InChI=1S/C16H22N6OS/c1-20-5-7-22(8-6-20)16(23)15-12-10-21(4-2-13(12)18-19-15)11-14-17-3-9-24-14/h3,9H,2,4-8,10-11H2,1H3,(H,18,19)
• InChIKey: ZOMHQUAZELGAQZ-UHFFFAOYSA-N
• XLogP: 0.81
• TPSA: 68.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.46
LogP ≤ 5	0.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone?

The IUPAC name of (4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone (CID 97388961) is (4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone.

What is the SMILES notation for (4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone?

The canonical SMILES for (4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone is CN1CCN(C(=O)c2n[nH]c3c2CN(Cc2nccs2)CC3)CC1.

What is the InChIKey of (4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone?

The InChIKey is ZOMHQUAZELGAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-20-5-7-22(8-6-20)16(23)15-12-10-21(4-2-13(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)-[5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone?

(4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-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)-[5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone is sourced from PubChem (CID 97388961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).