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

C24H27N5O3S — CID 26132913

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

5-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26132913) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 26132913
• Molecular Formula: C24H27N5O3S
• Molecular Weight: 465.58 g/mol
• Exact Mass: 465.18
• IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: Cc1ncsc1CCn1nc(C(=O)NC2CC2)c2c1CCN(Cc1ccc3c(c1)OCO3)C2
• InChI: InChI=1S/C24H27N5O3S/c1-15-22(33-13-25-15)7-9-29-19-6-8-28(11-16-2-5-20-21(10-16)32-14-31-20)12-18(19)23(27-29)24(30)26-17-3-4-17/h2,5,10,13,17H,3-4,6-9,11-12,14H2,1H3,(H,26,30)
• InChIKey: UPGOSLKHIKPLSL-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 81.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.58
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26132913) is 5-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for 5-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1ncsc1CCn1nc(C(=O)NC2CC2)c2c1CCN(Cc1ccc3c(c1)OCO3)C2.

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

The InChIKey is UPGOSLKHIKPLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-15-22(33-13-25-15)7-9-29-19-6-8-28(11-16-2-5-20-21(10-16)32-14-31-20)12-18(19)23(27-29)24(30)26-17-3-4-17/h2,5,10,13,17H,3-4,6-9,11-12,14H2,1H3,(H,26,30).

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

5-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26132913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).