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

C23H24N6O4S — CID 142529272

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

N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-5-oxo-4-propan-2-ylpyrazine-2-sulfonamide (PubChem CID 142529272) 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]-5-oxo-4-propan-2-ylpyrazine-2-sulfonamide.

Molecular Properties

• Compound Name: N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-5-oxo-4-propan-2-ylpyrazine-2-sulfonamide
• PubChem CID: 142529272
• 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]-5-oxo-4-propan-2-ylpyrazine-2-sulfonamide
• SMILES: CC(C)n1cc(S(=O)(=O)NC(O)Nc2c(-c3ccnc(C#N)c3)ccc3c2CCC3)ncc1=O
• InChI: InChI=1S/C23H24N6O4S/c1-14(2)29-13-20(26-12-21(29)30)34(32,33)28-23(31)27-22-18-5-3-4-15(18)6-7-19(22)16-8-9-25-17(10-16)11-24/h6-10,12-14,23,27-28,31H,3-5H2,1-2H3
• InChIKey: YSAYRKKSWBIZSC-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 150.00 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	1.91
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]-5-oxo-4-propan-2-ylpyrazine-2-sulfonamide?

The IUPAC name of N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-5-oxo-4-propan-2-ylpyrazine-2-sulfonamide (CID 142529272) is N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-5-oxo-4-propan-2-ylpyrazine-2-sulfonamide.

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

The canonical SMILES for N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-5-oxo-4-propan-2-ylpyrazine-2-sulfonamide is CC(C)n1cc(S(=O)(=O)NC(O)Nc2c(-c3ccnc(C#N)c3)ccc3c2CCC3)ncc1=O.

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

The InChIKey is YSAYRKKSWBIZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4S/c1-14(2)29-13-20(26-12-21(29)30)34(32,33)28-23(31)27-22-18-5-3-4-15(18)6-7-19(22)16-8-9-25-17(10-16)11-24/h6-10,12-14,23,27-28,31H,3-5H2,1-2H3.

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

N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-5-oxo-4-propan-2-ylpyrazine-2-sulfonamide has a molecular weight of 480.55 g/mol, XLogP of 1.91, 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]-5-oxo-4-propan-2-ylpyrazine-2-sulfonamide is sourced from PubChem (CID 142529272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).