formic acid;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole

C65H62N14O15S3 — CID 157399007

About formic acid;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole

formic acid;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole (PubChem CID 157399007) has the molecular formula C65H62N14O15S3 and a molecular weight of 1375.49 g/mol. Its IUPAC name is formic acid;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole.

Molecular Properties

• Compound Name: formic acid;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole
• PubChem CID: 157399007
• Molecular Formula: C65H62N14O15S3
• Molecular Weight: 1375.49 g/mol
• Exact Mass: 1374.37
• IUPAC Name: formic acid;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole
• SMILES: CN1CC=C(c2cn(S(=O)(=O)c3ccc(Oc4ccccc4)nc3)c3cccnc23)CC1.CN1CC=C(c2nn(S(=O)(=O)c3ccc4oncc4c3)c3cccnc23)CC1.CN1CC=C(c2nn(S(=O)(=O)c3ccc4oncc4c3)c3ncccc23)CC1.O=CO.O=CO.O=CO
• InChI: InChI=1S/C24H22N4O3S.2C19H17N5O3S.3CH2O2/c1-27-14-11-18(12-15-27)21-17-28(22-8-5-13-25-24(21)22)32(29,30)20-9-10-23(26-16-20)31-19-6-3-2-4-7-19;1-23-9-6-13(7-10-23)18-19-16(3-2-8-20-19)24(22-18)28(25,26)15-4-5-17-14(11-15)12-21-27-17;1-23-9-6-13(7-10-23)18-16-3-2-8-20-19(16)24(22-18)28(25,26)15-4-5-17-14(11-15)12-21-27-17;3*2-1-3/h2-11,13,16-17H,12,14-15H2,1H3;2*2-6,8,11-12H,7,9-10H2,1H3;3*1H,(H,2,3)
• InChIKey: BMXOGXSEBLHEHQ-UHFFFAOYSA-N
• XLogP: 8.34
• TPSA: 377.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 11
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1375.49
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formic acid;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole?

The IUPAC name of formic acid;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole (CID 157399007) is formic acid;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole.

What is the SMILES notation for formic acid;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole?

The canonical SMILES for formic acid;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole is CN1CC=C(c2cn(S(=O)(=O)c3ccc(Oc4ccccc4)nc3)c3cccnc23)CC1.CN1CC=C(c2nn(S(=O)(=O)c3ccc4oncc4c3)c3cccnc23)CC1.CN1CC=C(c2nn(S(=O)(=O)c3ccc4oncc4c3)c3ncccc23)CC1.O=CO.O=CO.O=CO.

What is the InChIKey of formic acid;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole?

The InChIKey is BMXOGXSEBLHEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S.2C19H17N5O3S.3CH2O2/c1-27-14-11-18(12-15-27)21-17-28(22-8-5-13-25-24(21)22)32(29,30)20-9-10-23(26-16-20)31-19-6-3-2-4-7-19;1-23-9-6-13(7-10-23)18-19-16(3-2-8-20-19)24(22-18)28(25,26)15-4-5-17-14(11-15)12-21-27-17;1-23-9-6-13(7-10-23)18-16-3-2-8-20-19(16)24(22-18)28(25,26)15-4-5-17-14(11-15)12-21-27-17;3*2-1-3/h2-11,13,16-17H,12,14-15H2,1H3;2*2-6,8,11-12H,7,9-10H2,1H3;3*1H,(H,2,3).

What are the key properties of formic acid;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole?

formic acid;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole has a molecular weight of 1375.49 g/mol, XLogP of 8.34, 11 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[4,3-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole is sourced from PubChem (CID 157399007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).