(6R)-6-[4-[3-[(5-cyano-2-methoxy-3-pyridinyl)-sulfinatoamino]-2,6-difluorophenyl]phenyl]-1-(methylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C28H23F2N6O4S- — CID 175520507

About (6R)-6-[4-[3-[(5-cyano-2-methoxy-3-pyridinyl)-sulfinatoamino]-2,6-difluorophenyl]phenyl]-1-(methylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

(6R)-6-[4-[3-[(5-cyano-2-methoxy-3-pyridinyl)-sulfinatoamino]-2,6-difluorophenyl]phenyl]-1-(methylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 175520507) has the molecular formula C28H23F2N6O4S- and a molecular weight of 577.59 g/mol. Its IUPAC name is (6R)-6-[4-[3-[(5-cyano-2-methoxy-3-pyridinyl)-sulfinatoamino]-2,6-difluorophenyl]phenyl]-1-(methylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

• Compound Name: (6R)-6-[4-[3-[(5-cyano-2-methoxy-3-pyridinyl)-sulfinatoamino]-2,6-difluorophenyl]phenyl]-1-(methylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
• PubChem CID: 175520507
• Molecular Formula: C28H23F2N6O4S-
• Molecular Weight: 577.59 g/mol
• Exact Mass: 577.15
• IUPAC Name: (6R)-6-[4-[3-[(5-cyano-2-methoxy-3-pyridinyl)-sulfinatoamino]-2,6-difluorophenyl]phenyl]-1-(methylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
• SMILES: CNC(=O)c1ncn2c1CC[C@H](c1ccc(-c3c(F)ccc(N(c4cc(C#N)cnc4OC)S(=O)[O-])c3F)cc1)C2
• InChI: InChI=1S/C28H24F2N6O4S/c1-32-27(37)26-22-9-7-19(14-35(22)15-34-26)17-3-5-18(6-4-17)24-20(29)8-10-21(25(24)30)36(41(38)39)23-11-16(12-31)13-33-28(23)40-2/h3-6,8,10-11,13,15,19H,7,9,14H2,1-2H3,(H,32,37)(H,38,39)/p-1/t19-/m0/s1
• InChIKey: LAXNENDWOFPOLL-IBGZPJMESA-M
• XLogP: 4.13
• TPSA: 136.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.59
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[4-[3-[(5-cyano-2-methoxy-3-pyridinyl)-sulfinatoamino]-2,6-difluorophenyl]phenyl]-1-(methylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?

The IUPAC name of (6R)-6-[4-[3-[(5-cyano-2-methoxy-3-pyridinyl)-sulfinatoamino]-2,6-difluorophenyl]phenyl]-1-(methylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 175520507) is (6R)-6-[4-[3-[(5-cyano-2-methoxy-3-pyridinyl)-sulfinatoamino]-2,6-difluorophenyl]phenyl]-1-(methylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

What is the SMILES notation for (6R)-6-[4-[3-[(5-cyano-2-methoxy-3-pyridinyl)-sulfinatoamino]-2,6-difluorophenyl]phenyl]-1-(methylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?

The canonical SMILES for (6R)-6-[4-[3-[(5-cyano-2-methoxy-3-pyridinyl)-sulfinatoamino]-2,6-difluorophenyl]phenyl]-1-(methylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is CNC(=O)c1ncn2c1CC[C@H](c1ccc(-c3c(F)ccc(N(c4cc(C#N)cnc4OC)S(=O)[O-])c3F)cc1)C2.

What is the InChIKey of (6R)-6-[4-[3-[(5-cyano-2-methoxy-3-pyridinyl)-sulfinatoamino]-2,6-difluorophenyl]phenyl]-1-(methylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?

The InChIKey is LAXNENDWOFPOLL-IBGZPJMESA-M. The full InChI is InChI=1S/C28H24F2N6O4S/c1-32-27(37)26-22-9-7-19(14-35(22)15-34-26)17-3-5-18(6-4-17)24-20(29)8-10-21(25(24)30)36(41(38)39)23-11-16(12-31)13-33-28(23)40-2/h3-6,8,10-11,13,15,19H,7,9,14H2,1-2H3,(H,32,37)(H,38,39)/p-1/t19-/m0/s1.

What are the key properties of (6R)-6-[4-[3-[(5-cyano-2-methoxy-3-pyridinyl)-sulfinatoamino]-2,6-difluorophenyl]phenyl]-1-(methylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?

(6R)-6-[4-[3-[(5-cyano-2-methoxy-3-pyridinyl)-sulfinatoamino]-2,6-difluorophenyl]phenyl]-1-(methylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 577.59 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-6-[4-[3-[(5-cyano-2-methoxy-3-pyridinyl)-sulfinatoamino]-2,6-difluorophenyl]phenyl]-1-(methylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 175520507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).