formic acid;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;3-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,3-benzoxazol-2-one

C70H74N12O16S3 — CID 159141907

About formic acid;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;3-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,3-benzoxazol-2-one

formic acid;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;3-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,3-benzoxazol-2-one (PubChem CID 159141907) has the molecular formula C70H74N12O16S3 and a molecular weight of 1435.63 g/mol. Its IUPAC name is formic acid;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;3-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,3-benzoxazol-2-one.

Molecular Properties

• Compound Name: formic acid;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;3-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,3-benzoxazol-2-one
• PubChem CID: 159141907
• Molecular Formula: C70H74N12O16S3
• Molecular Weight: 1435.63 g/mol
• Exact Mass: 1434.45
• IUPAC Name: formic acid;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;3-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,3-benzoxazol-2-one
• SMILES: CC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4ncccc43)ccc21.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)c3ncccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)c3ncccc23)CC1.O=CO.O=CO.O=CO
• InChI: InChI=1S/2C23H24N4O3S.C21H20N4O4S.3CH2O2/c1-16(28)26-13-9-18-14-19(5-6-21(18)26)31(29,30)27-15-20(17-7-11-25(2)12-8-17)23-22(27)4-3-10-24-23;1-25-14-10-17(11-15-25)21-16-27(23-20(21)4-2-12-24-23)31(29,30)19-8-6-18(7-9-19)26-13-3-5-22(26)28;1-23-10-7-14(8-11-23)17-13-25(20-16(17)4-3-9-22-20)30(27,28)15-5-6-18-19(12-15)29-21(26)24(18)2;3*2-1-3/h3-7,10,14-15H,8-9,11-13H2,1-2H3;2,4,6-10,12,16H,3,5,11,13-15H2,1H3;3-7,9,12-13H,8,10-11H2,1-2H3;3*1H,(H,2,3)
• InChIKey: KIEQBAUBALTWRS-UHFFFAOYSA-N
• XLogP: 7.56
• TPSA: 353.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 10
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1435.63
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formic acid;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;3-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,3-benzoxazol-2-one?

The IUPAC name of formic acid;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;3-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,3-benzoxazol-2-one (CID 159141907) is formic acid;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;3-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,3-benzoxazol-2-one.

What is the SMILES notation for formic acid;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;3-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,3-benzoxazol-2-one?

The canonical SMILES for formic acid;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;3-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,3-benzoxazol-2-one is CC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4ncccc43)ccc21.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)c3ncccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)c3ncccc23)CC1.O=CO.O=CO.O=CO.

What is the InChIKey of formic acid;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;3-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,3-benzoxazol-2-one?

The InChIKey is KIEQBAUBALTWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H24N4O3S.C21H20N4O4S.3CH2O2/c1-16(28)26-13-9-18-14-19(5-6-21(18)26)31(29,30)27-15-20(17-7-11-25(2)12-8-17)23-22(27)4-3-10-24-23;1-25-14-10-17(11-15-25)21-16-27(23-20(21)4-2-12-24-23)31(29,30)19-8-6-18(7-9-19)26-13-3-5-22(26)28;1-23-10-7-14(8-11-23)17-13-25(20-16(17)4-3-9-22-20)30(27,28)15-5-6-18-19(12-15)29-21(26)24(18)2;3*2-1-3/h3-7,10,14-15H,8-9,11-13H2,1-2H3;2,4,6-10,12,16H,3,5,11,13-15H2,1H3;3-7,9,12-13H,8,10-11H2,1-2H3;3*1H,(H,2,3).

What are the key properties of formic acid;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;3-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,3-benzoxazol-2-one?

formic acid;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;3-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,3-benzoxazol-2-one has a molecular weight of 1435.63 g/mol, XLogP of 7.56, 10 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;3-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 159141907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).