lithium;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-(2,3-diamino-4-pyridinyl)phenyl]methyl acetate;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl acetate;5-(dimethylamino)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde;N-methylmethanamine;hydroxide

C108H107F4LiN20O14 — CID 160743464

About lithium;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-(2,3-diamino-4-pyridinyl)phenyl]methyl acetate;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl acetate;5-(dimethylamino)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde;N-methylmethanamine;hydroxide

lithium;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-(2,3-diamino-4-pyridinyl)phenyl]methyl acetate;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl acetate;5-(dimethylamino)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde;N-methylmethanamine;hydroxide (PubChem CID 160743464) has the molecular formula C108H107F4LiN20O14 and a molecular weight of 1992.10 g/mol. Its IUPAC name is lithium;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-(2,3-diamino-4-pyridinyl)phenyl]methyl acetate;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl acetate;5-(dimethylamino)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde;N-methylmethanamine;hydroxide.

Molecular Properties

• Compound Name: lithium;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-(2,3-diamino-4-pyridinyl)phenyl]methyl acetate;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl acetate;5-(dimethylamino)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde;N-methylmethanamine;hydroxide
• PubChem CID: 160743464
• Molecular Formula: C108H107F4LiN20O14
• Molecular Weight: 1992.10 g/mol
• Exact Mass: 1990.84
• IUPAC Name: lithium;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-(2,3-diamino-4-pyridinyl)phenyl]methyl acetate;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl acetate;5-(dimethylamino)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde;N-methylmethanamine;hydroxide
• SMILES: CC(=O)OCc1c(-c2ccnc(N)c2N)cccc1N1CCOc2cc(C3CC3)cc(F)c2C1=O.CC(=O)OCc1c(-c2ccnc3nc(-c4ccc(N(C)C)cn4)[nH]c23)cccc1N1CCOc2cc(C3CC3)cc(F)c2C1=O.CN(C)c1ccc(-c2nc3nccc(-c4cccc(N5CCOc6cc(C7CC7)cc(F)c6C5=O)c4CO)c3[nH]2)nc1.CN(C)c1ccc(C=O)nc1.CNC.O=Cc1ccc(F)cn1.[Li+].[OH-]
• InChI: InChI=1S/C34H31FN6O4.C32H29FN6O3.C26H25FN4O4.C8H10N2O.C6H4FNO.C2H7N.Li.H2O/c1-19(42)45-18-25-23(24-11-12-36-33-31(24)38-32(39-33)27-10-9-22(17-37-27)40(2)3)5-4-6-28(25)41-13-14-44-29-16-21(20-7-8-20)15-26(35)30(29)34(41)43;1-38(2)20-8-9-25(35-16-20)30-36-29-22(10-11-34-31(29)37-30)21-4-3-5-26(23(21)17-40)39-12-13-42-27-15-19(18-6-7-18)14-24(33)28(27)32(39)41;1-14(32)35-13-19-17(18-7-8-30-25(29)24(18)28)3-2-4-21(19)31-9-10-34-22-12-16(15-5-6-15)11-20(27)23(22)26(31)33;1-10(2)8-4-3-7(6-11)9-5-8;7-5-1-2-6(4-9)8-3-5;1-3-2;;/h4-6,9-12,15-17,20H,7-8,13-14,18H2,1-3H3,(H,36,38,39);3-5,8-11,14-16,18,40H,6-7,12-13,17H2,1-2H3,(H,34,36,37);2-4,7-8,11-12,15H,5-6,9-10,13,28H2,1H3,(H2,29,30);3-6H,1-2H3;1-4H;3H,1-2H3;;1H2/q;;;;;;+1;/p-1
• InChIKey: RVWVMXHIEMZNTH-UHFFFAOYSA-M
• XLogP: 13.86
• TPSA: 446.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1992.10
LogP ≤ 5	13.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-(2,3-diamino-4-pyridinyl)phenyl]methyl acetate;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl acetate;5-(dimethylamino)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde;N-methylmethanamine;hydroxide?

The IUPAC name of lithium;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-(2,3-diamino-4-pyridinyl)phenyl]methyl acetate;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl acetate;5-(dimethylamino)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde;N-methylmethanamine;hydroxide (CID 160743464) is lithium;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-(2,3-diamino-4-pyridinyl)phenyl]methyl acetate;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl acetate;5-(dimethylamino)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde;N-methylmethanamine;hydroxide.

What is the SMILES notation for lithium;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-(2,3-diamino-4-pyridinyl)phenyl]methyl acetate;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl acetate;5-(dimethylamino)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde;N-methylmethanamine;hydroxide?

The canonical SMILES for lithium;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-(2,3-diamino-4-pyridinyl)phenyl]methyl acetate;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl acetate;5-(dimethylamino)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde;N-methylmethanamine;hydroxide is CC(=O)OCc1c(-c2ccnc(N)c2N)cccc1N1CCOc2cc(C3CC3)cc(F)c2C1=O.CC(=O)OCc1c(-c2ccnc3nc(-c4ccc(N(C)C)cn4)[nH]c23)cccc1N1CCOc2cc(C3CC3)cc(F)c2C1=O.CN(C)c1ccc(-c2nc3nccc(-c4cccc(N5CCOc6cc(C7CC7)cc(F)c6C5=O)c4CO)c3[nH]2)nc1.CN(C)c1ccc(C=O)nc1.CNC.O=Cc1ccc(F)cn1.[Li+].[OH-].

What is the InChIKey of lithium;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-(2,3-diamino-4-pyridinyl)phenyl]methyl acetate;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl acetate;5-(dimethylamino)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde;N-methylmethanamine;hydroxide?

The InChIKey is RVWVMXHIEMZNTH-UHFFFAOYSA-M. The full InChI is InChI=1S/C34H31FN6O4.C32H29FN6O3.C26H25FN4O4.C8H10N2O.C6H4FNO.C2H7N.Li.H2O/c1-19(42)45-18-25-23(24-11-12-36-33-31(24)38-32(39-33)27-10-9-22(17-37-27)40(2)3)5-4-6-28(25)41-13-14-44-29-16-21(20-7-8-20)15-26(35)30(29)34(41)43;1-38(2)20-8-9-25(35-16-20)30-36-29-22(10-11-34-31(29)37-30)21-4-3-5-26(23(21)17-40)39-12-13-42-27-15-19(18-6-7-18)14-24(33)28(27)32(39)41;1-14(32)35-13-19-17(18-7-8-30-25(29)24(18)28)3-2-4-21(19)31-9-10-34-22-12-16(15-5-6-15)11-20(27)23(22)26(31)33;1-10(2)8-4-3-7(6-11)9-5-8;7-5-1-2-6(4-9)8-3-5;1-3-2;;/h4-6,9-12,15-17,20H,7-8,13-14,18H2,1-3H3,(H,36,38,39);3-5,8-11,14-16,18,40H,6-7,12-13,17H2,1-2H3,(H,34,36,37);2-4,7-8,11-12,15H,5-6,9-10,13,28H2,1H3,(H2,29,30);3-6H,1-2H3;1-4H;3H,1-2H3;;1H2/q;;;;;;+1;/p-1.

What are the key properties of lithium;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-(2,3-diamino-4-pyridinyl)phenyl]methyl acetate;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl acetate;5-(dimethylamino)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde;N-methylmethanamine;hydroxide?

lithium;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-(2,3-diamino-4-pyridinyl)phenyl]methyl acetate;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl acetate;5-(dimethylamino)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde;N-methylmethanamine;hydroxide has a molecular weight of 1992.10 g/mol, XLogP of 13.86, 21 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-(2,3-diamino-4-pyridinyl)phenyl]methyl acetate;[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl acetate;5-(dimethylamino)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde;N-methylmethanamine;hydroxide is sourced from PubChem (CID 160743464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).