5-benzoyl-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide

C18H17N5O2S — CID 110084954

About 5-benzoyl-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide

5-benzoyl-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 110084954) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 5-benzoyl-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: 5-benzoyl-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
• PubChem CID: 110084954
• Molecular Formula: C18H17N5O2S
• Molecular Weight: 367.43 g/mol
• Exact Mass: 367.11
• IUPAC Name: 5-benzoyl-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
• SMILES: Cn1cc2c(n1)C(C(=O)Nc1nccs1)CN(C(=O)c1ccccc1)C2
• InChI: InChI=1S/C18H17N5O2S/c1-22-9-13-10-23(17(25)12-5-3-2-4-6-12)11-14(15(13)21-22)16(24)20-18-19-7-8-26-18/h2-9,14H,10-11H2,1H3,(H,19,20,24)
• InChIKey: QYHXUQBBVUEAJA-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.43
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?

The IUPAC name of 5-benzoyl-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (CID 110084954) is 5-benzoyl-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.

What is the SMILES notation for 5-benzoyl-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?

The canonical SMILES for 5-benzoyl-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is Cn1cc2c(n1)C(C(=O)Nc1nccs1)CN(C(=O)c1ccccc1)C2.

What is the InChIKey of 5-benzoyl-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?

The InChIKey is QYHXUQBBVUEAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-22-9-13-10-23(17(25)12-5-3-2-4-6-12)11-14(15(13)21-22)16(24)20-18-19-7-8-26-18/h2-9,14H,10-11H2,1H3,(H,19,20,24).

What are the key properties of 5-benzoyl-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?

5-benzoyl-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzoyl-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 110084954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).