formic acid;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;4-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine

C69H78N14O15S3 — CID 157368973

About formic acid;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;4-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine

formic acid;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;4-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine (PubChem CID 157368973) has the molecular formula C69H78N14O15S3 and a molecular weight of 1439.67 g/mol. Its IUPAC name is formic acid;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;4-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine.

Molecular Properties

• Compound Name: formic acid;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;4-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine
• PubChem CID: 157368973
• Molecular Formula: C69H78N14O15S3
• Molecular Weight: 1439.67 g/mol
• Exact Mass: 1438.49
• IUPAC Name: formic acid;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;4-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine
• SMILES: CC(=O)N1CCc2ccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cccnc43)cc21.COC1CCN(c2ccc(S(=O)(=O)n3cc(C4=CCNCC4)c4ncccc43)cn2)C1.O=CO.O=CO.O=CO.O=S(=O)(c1ccc(N2CCOCC2)nc1)n1cc(C2=CCNCC2)c2ncccc21
• InChI: InChI=1S/C23H24N4O3S.C22H25N5O3S.C21H23N5O3S.3CH2O2/c1-16(28)26-13-9-18-5-6-19(14-22(18)26)31(29,30)27-15-21(17-7-11-25(2)12-8-17)20-4-3-10-24-23(20)27;1-30-17-8-12-26(14-17)21-5-4-18(13-25-21)31(28,29)27-15-19(16-6-10-23-11-7-16)22-20(27)3-2-9-24-22;27-30(28,17-3-4-20(24-14-17)25-10-12-29-13-11-25)26-15-18(16-5-8-22-9-6-16)21-19(26)2-1-7-23-21;3*2-1-3/h3-7,10,14-15H,8-9,11-13H2,1-2H3;2-6,9,13,15,17,23H,7-8,10-12,14H2,1H3;1-5,7,14-15,22H,6,8-13H2;3*1H,(H,2,3)
• InChIKey: BJNHSMPINYBODP-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 366.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1439.67
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of formic acid;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;4-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine (CID 157368973) is formic acid;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;4-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine.

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

The canonical SMILES for formic acid;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;4-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine is CC(=O)N1CCc2ccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cccnc43)cc21.COC1CCN(c2ccc(S(=O)(=O)n3cc(C4=CCNCC4)c4ncccc43)cn2)C1.O=CO.O=CO.O=CO.O=S(=O)(c1ccc(N2CCOCC2)nc1)n1cc(C2=CCNCC2)c2ncccc21.

What is the InChIKey of formic acid;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;4-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine?

The InChIKey is BJNHSMPINYBODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S.C22H25N5O3S.C21H23N5O3S.3CH2O2/c1-16(28)26-13-9-18-5-6-19(14-22(18)26)31(29,30)27-15-21(17-7-11-25(2)12-8-17)20-4-3-10-24-23(20)27;1-30-17-8-12-26(14-17)21-5-4-18(13-25-21)31(28,29)27-15-19(16-6-10-23-11-7-16)22-20(27)3-2-9-24-22;27-30(28,17-3-4-20(24-14-17)25-10-12-29-13-11-25)26-15-18(16-5-8-22-9-6-16)21-19(26)2-1-7-23-21;3*2-1-3/h3-7,10,14-15H,8-9,11-13H2,1-2H3;2-6,9,13,15,17,23H,7-8,10-12,14H2,1H3;1-5,7,14-15,22H,6,8-13H2;3*1H,(H,2,3).

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

formic acid;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;4-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine has a molecular weight of 1439.67 g/mol, XLogP of 6.16, 12 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;4-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine is sourced from PubChem (CID 157368973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).