lithium;1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;[4-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-3,5-dichloro-2-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloro-2-(morpholine-4-carbonyl)pyridine-4-carbaldehyde;di(propan-2-yl)azanide

C58H56Cl4F6LiN9O10S2 — CID 158021287

About lithium;1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;[4-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-3,5-dichloro-2-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloro-2-(morpholine-4-carbonyl)pyridine-4-carbaldehyde;di(propan-2-yl)azanide

lithium;1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;[4-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-3,5-dichloro-2-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloro-2-(morpholine-4-carbonyl)pyridine-4-carbaldehyde;di(propan-2-yl)azanide (PubChem CID 158021287) has the molecular formula C58H56Cl4F6LiN9O10S2 and a molecular weight of 1366.01 g/mol. Its IUPAC name is lithium;1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;[4-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-3,5-dichloro-2-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloro-2-(morpholine-4-carbonyl)pyridine-4-carbaldehyde;di(propan-2-yl)azanide.

Molecular Properties

• Compound Name: lithium;1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;[4-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-3,5-dichloro-2-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloro-2-(morpholine-4-carbonyl)pyridine-4-carbaldehyde;di(propan-2-yl)azanide
• PubChem CID: 158021287
• Molecular Formula: C58H56Cl4F6LiN9O10S2
• Molecular Weight: 1366.01 g/mol
• Exact Mass: 1363.24
• IUPAC Name: lithium;1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;[4-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-3,5-dichloro-2-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloro-2-(morpholine-4-carbonyl)pyridine-4-carbaldehyde;di(propan-2-yl)azanide
• SMILES: CC(C)[N-]C(C)C.Cc1cc(C(F)(F)F)nc2c1cc(C(O)c1c(Cl)cnc(C(=O)N3CCOCC3)c1Cl)n2S(=O)(=O)c1ccccc1.Cc1cc(C(F)(F)F)nc2c1ccn2S(=O)(=O)c1ccccc1.O=Cc1c(Cl)cnc(C(=O)N2CCOCC2)c1Cl.[Li+]
• InChI: InChI=1S/C26H21Cl2F3N4O5S.C15H11F3N2O2S.C11H10Cl2N2O3.C6H14N.Li/c1-14-11-19(26(29,30)31)33-24-16(14)12-18(35(24)41(38,39)15-5-3-2-4-6-15)23(36)20-17(27)13-32-22(21(20)28)25(37)34-7-9-40-10-8-34;1-10-9-13(15(16,17)18)19-14-12(10)7-8-20(14)23(21,22)11-5-3-2-4-6-11;12-8-5-14-10(9(13)7(8)6-16)11(17)15-1-3-18-4-2-15;1-5(2)7-6(3)4;/h2-6,11-13,23,36H,7-10H2,1H3;2-9H,1H3;5-6H,1-4H2;5-6H,1-4H3;/q;;;-1;+1
• InChIKey: FGBZTWUFYDWRLX-UHFFFAOYSA-N
• XLogP: 9.31
• TPSA: 240.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1366.01
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;[4-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-3,5-dichloro-2-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloro-2-(morpholine-4-carbonyl)pyridine-4-carbaldehyde;di(propan-2-yl)azanide?

The IUPAC name of lithium;1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;[4-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-3,5-dichloro-2-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloro-2-(morpholine-4-carbonyl)pyridine-4-carbaldehyde;di(propan-2-yl)azanide (CID 158021287) is lithium;1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;[4-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-3,5-dichloro-2-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloro-2-(morpholine-4-carbonyl)pyridine-4-carbaldehyde;di(propan-2-yl)azanide.

What is the SMILES notation for lithium;1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;[4-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-3,5-dichloro-2-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloro-2-(morpholine-4-carbonyl)pyridine-4-carbaldehyde;di(propan-2-yl)azanide?

The canonical SMILES for lithium;1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;[4-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-3,5-dichloro-2-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloro-2-(morpholine-4-carbonyl)pyridine-4-carbaldehyde;di(propan-2-yl)azanide is CC(C)[N-]C(C)C.Cc1cc(C(F)(F)F)nc2c1cc(C(O)c1c(Cl)cnc(C(=O)N3CCOCC3)c1Cl)n2S(=O)(=O)c1ccccc1.Cc1cc(C(F)(F)F)nc2c1ccn2S(=O)(=O)c1ccccc1.O=Cc1c(Cl)cnc(C(=O)N2CCOCC2)c1Cl.[Li+].

What is the InChIKey of lithium;1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;[4-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-3,5-dichloro-2-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloro-2-(morpholine-4-carbonyl)pyridine-4-carbaldehyde;di(propan-2-yl)azanide?

The InChIKey is FGBZTWUFYDWRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2F3N4O5S.C15H11F3N2O2S.C11H10Cl2N2O3.C6H14N.Li/c1-14-11-19(26(29,30)31)33-24-16(14)12-18(35(24)41(38,39)15-5-3-2-4-6-15)23(36)20-17(27)13-32-22(21(20)28)25(37)34-7-9-40-10-8-34;1-10-9-13(15(16,17)18)19-14-12(10)7-8-20(14)23(21,22)11-5-3-2-4-6-11;12-8-5-14-10(9(13)7(8)6-16)11(17)15-1-3-18-4-2-15;1-5(2)7-6(3)4;/h2-6,11-13,23,36H,7-10H2,1H3;2-9H,1H3;5-6H,1-4H2;5-6H,1-4H3;/q;;;-1;+1.

What are the key properties of lithium;1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;[4-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-3,5-dichloro-2-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloro-2-(morpholine-4-carbonyl)pyridine-4-carbaldehyde;di(propan-2-yl)azanide?

lithium;1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;[4-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-3,5-dichloro-2-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloro-2-(morpholine-4-carbonyl)pyridine-4-carbaldehyde;di(propan-2-yl)azanide has a molecular weight of 1366.01 g/mol, XLogP of 9.31, 11 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;[4-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-3,5-dichloro-2-pyridinyl]-morpholin-4-ylmethanone;3,5-dichloro-2-(morpholine-4-carbonyl)pyridine-4-carbaldehyde;di(propan-2-yl)azanide is sourced from PubChem (CID 158021287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).