lithium;(2S)-2-aminopropan-1-ol;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methane;sulfane

C46H59Cl2F2LiN10O7S2 — CID 157394538

IUPAClithium;(2S)-2-aminopropan-1-ol;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methane;sulfane
SMILESC.C.CC(CO)NC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)c(=O)[nH]c1N(C)C.CN(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)[O-].C[C@H](N)CO.S.S.[Li+]
InChIInChI=1S/C22H23ClFN5O3.C19H16ClFN4O3.C3H9NO.2CH4.Li.2H2S/c1-12(11-30)26-22(32)16-10-25-7-6-18(16)27-19-9-15(21(31)28-20(19)29(2)3)14-8-13(23)4-5-17(14)24;1-25(2)17-16(23-15-5-6-22-9-13(15)19(27)28)8-12(18(26)24-17)11-7-10(20)3-4-14(11)21;1-3(4)2-5;;;;;/h4-10,12,30H,11H2,1-3H3,(H,25,27)(H,26,32)(H,28,31);3-9H,1-2H3,(H,22,23)(H,24,26)(H,27,28);3,5H,2,4H2,1H3;2*1H4;;2*1H2/q;;;;;+1;;/p-1/t;;3-;;;;;/m..0...../s1
InChIKeyBMKJKPZAZWRJPI-JXIZECPXSA-M
MW1044.02 g/mol
LogP3.38
Rot. Bonds13

About lithium;(2S)-2-aminopropan-1-ol;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methane;sulfane

lithium;(2S)-2-aminopropan-1-ol;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methane;sulfane (PubChem CID 157394538) has the molecular formula C46H59Cl2F2LiN10O7S2 and a molecular weight of 1044.02 g/mol. Its IUPAC name is lithium;(2S)-2-aminopropan-1-ol;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methane;sulfane.

Molecular Properties

Compound Namelithium;(2S)-2-aminopropan-1-ol;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methane;sulfane
PubChem CID157394538
Molecular FormulaC46H59Cl2F2LiN10O7S2
Molecular Weight1044.02 g/mol
Exact Mass1042.35
IUPAC Namelithium;(2S)-2-aminopropan-1-ol;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methane;sulfane
SMILESC.C.CC(CO)NC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)c(=O)[nH]c1N(C)C.CN(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)[O-].C[C@H](N)CO.S.S.[Li+]
InChIInChI=1S/C22H23ClFN5O3.C19H16ClFN4O3.C3H9NO.2CH4.Li.2H2S/c1-12(11-30)26-22(32)16-10-25-7-6-18(16)27-19-9-15(21(31)28-20(19)29(2)3)14-8-13(23)4-5-17(14)24;1-25(2)17-16(23-15-5-6-22-9-13(15)19(27)28)8-12(18(26)24-17)11-7-10(20)3-4-14(11)21;1-3(4)2-5;;;;;/h4-10,12,30H,11H2,1-3H3,(H,25,27)(H,26,32)(H,28,31);3-9H,1-2H3,(H,22,23)(H,24,26)(H,27,28);3,5H,2,4H2,1H3;2*1H4;;2*1H2/q;;;;;+1;;/p-1/t;;3-;;;;;/m..0...../s1
InChIKeyBMKJKPZAZWRJPI-JXIZECPXSA-M
XLogP3.38
TPSA257.75 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001044.02
LogP ≤ 53.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze lithium;(2S)-2-aminopropan-1-ol;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methane;sulfane with MolForge

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Related Compounds

4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;sulfane
CID 159818540
4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
CID 146299048
4-[[5-(2,4-difluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
CID 146299109
(2R)-2-aminopropan-1-ol;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;trimethylalumane
CID 159406352
3-(5-chloro-2-fluorophenyl)-6-(dimethylamino)-5-[(3-methyl-4-pyridinyl)amino]-1H-pyridin-2-one;methyl formate
CID 153392191
4-[[5-(5-chloro-2-fluorophenyl)-2-morpholin-4-yl-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyrimidine-5-carboxamide
CID 146299096
4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
CID 58770378
6-(dimethylamino)-3-(2-fluoro-5-methylphenyl)-5-[[3-(morpholine-4-carbonyl)-4-pyridinyl]amino]-1H-pyridin-2-one
CID 153392132
methyl 4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate
CID 146296322
5-[(3-acetyl-4-pyridinyl)amino]-3-(5-chloro-2-fluorophenyl)-6-(oxetan-3-yl)-1H-pyridin-2-one
CID 153392314
4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethane
CID 142874305
4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(1-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 118211840

Frequently Asked Questions

What is the IUPAC name of lithium;(2S)-2-aminopropan-1-ol;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methane;sulfane?
The IUPAC name of lithium;(2S)-2-aminopropan-1-ol;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methane;sulfane (CID 157394538) is lithium;(2S)-2-aminopropan-1-ol;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methane;sulfane.
What is the SMILES notation for lithium;(2S)-2-aminopropan-1-ol;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methane;sulfane?
The canonical SMILES for lithium;(2S)-2-aminopropan-1-ol;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methane;sulfane is C.C.CC(CO)NC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)c(=O)[nH]c1N(C)C.CN(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)[O-].C[C@H](N)CO.S.S.[Li+].
What is the InChIKey of lithium;(2S)-2-aminopropan-1-ol;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methane;sulfane?
The InChIKey is BMKJKPZAZWRJPI-JXIZECPXSA-M. The full InChI is InChI=1S/C22H23ClFN5O3.C19H16ClFN4O3.C3H9NO.2CH4.Li.2H2S/c1-12(11-30)26-22(32)16-10-25-7-6-18(16)27-19-9-15(21(31)28-20(19)29(2)3)14-8-13(23)4-5-17(14)24;1-25(2)17-16(23-15-5-6-22-9-13(15)19(27)28)8-12(18(26)24-17)11-7-10(20)3-4-14(11)21;1-3(4)2-5;;;;;/h4-10,12,30H,11H2,1-3H3,(H,25,27)(H,26,32)(H,28,31);3-9H,1-2H3,(H,22,23)(H,24,26)(H,27,28);3,5H,2,4H2,1H3;2*1H4;;2*1H2/q;;;;;+1;;/p-1/t;;3-;;;;;/m..0...../s1.
What are the key properties of lithium;(2S)-2-aminopropan-1-ol;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methane;sulfane?
lithium;(2S)-2-aminopropan-1-ol;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methane;sulfane has a molecular weight of 1044.02 g/mol, XLogP of 3.38, 13 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2S)-2-aminopropan-1-ol;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide;4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methane;sulfane is sourced from PubChem (CID 157394538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).