1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea;molecular hydrogen

C24H32N6O4S — CID 142529200

About 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea;molecular hydrogen

1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea;molecular hydrogen (PubChem CID 142529200) has the molecular formula C24H32N6O4S and a molecular weight of 500.63 g/mol. Its IUPAC name is 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea;molecular hydrogen
• PubChem CID: 142529200
• Molecular Formula: C24H32N6O4S
• Molecular Weight: 500.63 g/mol
• Exact Mass: 500.22
• IUPAC Name: 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea;molecular hydrogen
• SMILES: COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CCN(C)C4)n2)CCC3)ccn1.[H][H].[H][H]
• InChI: InChI=1S/C24H28N6O4S.2H2/c1-29-12-9-18(15-29)30-13-10-22(27-30)35(32,33)28-24(31)26-23-19-5-3-4-16(19)6-7-20(23)17-8-11-25-21(14-17)34-2;;/h6-8,10-11,13-14,18H,3-5,9,12,15H2,1-2H3,(H2,26,28,31);2*1H
• InChIKey: GAPAGCYGOLJFOG-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 118.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.63
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea;molecular hydrogen?

The IUPAC name of 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea;molecular hydrogen (CID 142529200) is 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea;molecular hydrogen.

What is the SMILES notation for 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea;molecular hydrogen?

The canonical SMILES for 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea;molecular hydrogen is COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CCN(C)C4)n2)CCC3)ccn1.[H][H].[H][H].

What is the InChIKey of 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea;molecular hydrogen?

The InChIKey is GAPAGCYGOLJFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4S.2H2/c1-29-12-9-18(15-29)30-13-10-22(27-30)35(32,33)28-24(31)26-23-19-5-3-4-16(19)6-7-20(23)17-8-11-25-21(14-17)34-2;;/h6-8,10-11,13-14,18H,3-5,9,12,15H2,1-2H3,(H2,26,28,31);2*1H.

What are the key properties of 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea;molecular hydrogen?

1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea;molecular hydrogen has a molecular weight of 500.63 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea;molecular hydrogen is sourced from PubChem (CID 142529200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).