N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-1-(oxolan-3-yl)pyrazole-3-sulfonamide

C23H24N6O4S — CID 142588016

About N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-1-(oxolan-3-yl)pyrazole-3-sulfonamide

N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-1-(oxolan-3-yl)pyrazole-3-sulfonamide (PubChem CID 142588016) has the molecular formula C23H24N6O4S and a molecular weight of 480.55 g/mol. Its IUPAC name is N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-1-(oxolan-3-yl)pyrazole-3-sulfonamide.

Molecular Properties

• Compound Name: N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-1-(oxolan-3-yl)pyrazole-3-sulfonamide
• PubChem CID: 142588016
• Molecular Formula: C23H24N6O4S
• Molecular Weight: 480.55 g/mol
• Exact Mass: 480.16
• IUPAC Name: N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-1-(oxolan-3-yl)pyrazole-3-sulfonamide
• SMILES: N#Cc1cc(-c2ccc3c(c2NC(O)NS(=O)(=O)c2ccn(C4CCOC4)n2)CCC3)ccn1
• InChI: InChI=1S/C23H24N6O4S/c24-13-17-12-16(6-9-25-17)20-5-4-15-2-1-3-19(15)22(20)26-23(30)28-34(31,32)21-7-10-29(27-21)18-8-11-33-14-18/h4-7,9-10,12,18,23,26,28,30H,1-3,8,11,14H2
• InChIKey: IFKNNZNVMKICJF-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 142.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.55
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-1-(oxolan-3-yl)pyrazole-3-sulfonamide?

The IUPAC name of N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-1-(oxolan-3-yl)pyrazole-3-sulfonamide (CID 142588016) is N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-1-(oxolan-3-yl)pyrazole-3-sulfonamide.

What is the SMILES notation for N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-1-(oxolan-3-yl)pyrazole-3-sulfonamide?

The canonical SMILES for N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-1-(oxolan-3-yl)pyrazole-3-sulfonamide is N#Cc1cc(-c2ccc3c(c2NC(O)NS(=O)(=O)c2ccn(C4CCOC4)n2)CCC3)ccn1.

What is the InChIKey of N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-1-(oxolan-3-yl)pyrazole-3-sulfonamide?

The InChIKey is IFKNNZNVMKICJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4S/c24-13-17-12-16(6-9-25-17)20-5-4-15-2-1-3-19(15)22(20)26-23(30)28-34(31,32)21-7-10-29(27-21)18-8-11-33-14-18/h4-7,9-10,12,18,23,26,28,30H,1-3,8,11,14H2.

What are the key properties of N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-1-(oxolan-3-yl)pyrazole-3-sulfonamide?

N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-1-(oxolan-3-yl)pyrazole-3-sulfonamide has a molecular weight of 480.55 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-1-(oxolan-3-yl)pyrazole-3-sulfonamide is sourced from PubChem (CID 142588016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).