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

C20H22N6O3S — CID 155881977

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

N-[2-(1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 155881977) has the molecular formula C20H22N6O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[2-(1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide
• PubChem CID: 155881977
• Molecular Formula: C20H22N6O3S
• Molecular Weight: 426.50 g/mol
• Exact Mass: 426.15
• IUPAC Name: N-[2-(1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide
• SMILES: Cn1nc(CCNC(=O)c2cccnc2)c2c1CCN(S(=O)(=O)c1cccnc1)C2
• InChI: InChI=1S/C20H22N6O3S/c1-25-19-7-11-26(30(28,29)16-5-3-9-22-13-16)14-17(19)18(24-25)6-10-23-20(27)15-4-2-8-21-12-15/h2-5,8-9,12-13H,6-7,10-11,14H2,1H3,(H,23,27)
• InChIKey: OKUYLIRVJMIGCH-UHFFFAOYSA-N
• XLogP: 0.93
• TPSA: 110.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.50
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-(1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide (CID 155881977) is N-[2-(1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide.

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

The canonical SMILES for N-[2-(1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide is Cn1nc(CCNC(=O)c2cccnc2)c2c1CCN(S(=O)(=O)c1cccnc1)C2.

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

The InChIKey is OKUYLIRVJMIGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S/c1-25-19-7-11-26(30(28,29)16-5-3-9-22-13-16)14-17(19)18(24-25)6-10-23-20(27)15-4-2-8-21-12-15/h2-5,8-9,12-13H,6-7,10-11,14H2,1H3,(H,23,27).

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

N-[2-(1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 155881977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).