1-(cyclopropylmethyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C24H27N5O2S — CID 26223831

About 1-(cyclopropylmethyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-(cyclopropylmethyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26223831) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(cyclopropylmethyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 26223831
• Molecular Formula: C24H27N5O2S
• Molecular Weight: 449.58 g/mol
• Exact Mass: 449.19
• IUPAC Name: 1-(cyclopropylmethyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: O=C(NCc1nccs1)c1nn(CC2CC2)c2c1CN(Cc1ccc3c(c1)CCO3)CC2
• InChI: InChI=1S/C24H27N5O2S/c30-24(26-12-22-25-7-10-32-22)23-19-15-28(8-5-20(19)29(27-23)14-16-1-2-16)13-17-3-4-21-18(11-17)6-9-31-21/h3-4,7,10-11,16H,1-2,5-6,8-9,12-15H2,(H,26,30)
• InChIKey: ZHKJUDXPQSEZSW-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.58
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(cyclopropylmethyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26223831) is 1-(cyclopropylmethyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for 1-(cyclopropylmethyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NCc1nccs1)c1nn(CC2CC2)c2c1CN(Cc1ccc3c(c1)CCO3)CC2.

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

The InChIKey is ZHKJUDXPQSEZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c30-24(26-12-22-25-7-10-32-22)23-19-15-28(8-5-20(19)29(27-23)14-16-1-2-16)13-17-3-4-21-18(11-17)6-9-31-21/h3-4,7,10-11,16H,1-2,5-6,8-9,12-15H2,(H,26,30).

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

1-(cyclopropylmethyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26223831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).