About sodium;acetic acid;tert-butyl 4-bromo-2-(5-chloro-2-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-[(3-methyl-4-pyridinyl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;2-(5-chloro-2-fluorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one;diiodomethane;ethanol;ethanolate;iodoform;iodomethane;methane;methyl 4-oxopiperidine-3-carboxylate;palladium;hydrochloride
sodium;acetic acid;tert-butyl 4-bromo-2-(5-chloro-2-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-[(3-methyl-4-pyridinyl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;2-(5-chloro-2-fluorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one;diiodomethane;ethanol;ethanolate;iodoform;iodomethane;methane;methyl 4-oxopiperidine-3-carboxylate;palladium;hydrochloride (PubChem CID 161056646) has the molecular formula C128H155BrCl7F6I6N22NaO22Pd
and a molecular weight of 3686.68 g/mol. Its IUPAC name is sodium;acetic acid;tert-butyl 4-bromo-2-(5-chloro-2-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-[(3-methyl-4-pyridinyl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;2-(5-chloro-2-fluorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one;diiodomethane;ethanol;ethanolate;iodoform;iodomethane;methane;methyl 4-oxopiperidine-3-carboxylate;palladium;hydrochloride.
Frequently Asked Questions
What is the IUPAC name of sodium;acetic acid;tert-butyl 4-bromo-2-(5-chloro-2-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-[(3-methyl-4-pyridinyl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;2-(5-chloro-2-fluorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one;diiodomethane;ethanol;ethanolate;iodoform;iodomethane;methane;methyl 4-oxopiperidine-3-carboxylate;palladium;hydrochloride?
The IUPAC name of sodium;acetic acid;tert-butyl 4-bromo-2-(5-chloro-2-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-[(3-methyl-4-pyridinyl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;2-(5-chloro-2-fluorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one;diiodomethane;ethanol;ethanolate;iodoform;iodomethane;methane;methyl 4-oxopiperidine-3-carboxylate;palladium;hydrochloride (CID 161056646) is sodium;acetic acid;tert-butyl 4-bromo-2-(5-chloro-2-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-[(3-methyl-4-pyridinyl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;2-(5-chloro-2-fluorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one;diiodomethane;ethanol;ethanolate;iodoform;iodomethane;methane;methyl 4-oxopiperidine-3-carboxylate;palladium;hydrochloride.
What is the SMILES notation for sodium;acetic acid;tert-butyl 4-bromo-2-(5-chloro-2-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-[(3-methyl-4-pyridinyl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;2-(5-chloro-2-fluorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one;diiodomethane;ethanol;ethanolate;iodoform;iodomethane;methane;methyl 4-oxopiperidine-3-carboxylate;palladium;hydrochloride?
The canonical SMILES for sodium;acetic acid;tert-butyl 4-bromo-2-(5-chloro-2-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-[(3-methyl-4-pyridinyl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;2-(5-chloro-2-fluorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one;diiodomethane;ethanol;ethanolate;iodoform;iodomethane;methane;methyl 4-oxopiperidine-3-carboxylate;palladium;hydrochloride is C.CC(=O)O.CC(=O)O.CC(C)(C)OC(=O)N1CCc2nc(-c3cc(Cl)ccc3F)[nH]c(=O)c2C1.CC(C)(C)OC(=O)N1CCc2nc(-c3cc(Cl)ccc3F)nc(Br)c2C1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCO.CC[O-].CI.COC(=O)C1CNCCC1=O.Cc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1CN(C(=O)OC(C)(C)C)CC2.Cc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1CNCC2.Cl.IC(I)I.ICI.O=c1[nH]c(-c2cc(Cl)ccc2F)nc2c1CNCC2.[H]/N=C(\N)c1cc(Cl)ccc1F.[Na+].[Pd].
What is the InChIKey of sodium;acetic acid;tert-butyl 4-bromo-2-(5-chloro-2-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-[(3-methyl-4-pyridinyl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;2-(5-chloro-2-fluorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one;diiodomethane;ethanol;ethanolate;iodoform;iodomethane;methane;methyl 4-oxopiperidine-3-carboxylate;palladium;hydrochloride?
The InChIKey is KFTSRCYEDGKSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN5O2.C19H17ClFN5.C18H18BrClFN3O2.C18H19ClFN3O3.C13H11ClFN3O.C10H18O5.C7H6ClFN2.C7H11NO3.2C2H4O2.C2H6O.C2H5O.CHI3.CH2I2.CH3I.CH4.ClH.Na.Pd/c1-14-12-27-9-7-19(14)28-22-17-13-31(23(32)33-24(2,3)4)10-8-20(17)29-21(30-22)16-11-15(25)5-6-18(16)26;1-11-9-22-6-4-16(11)24-19-14-10-23-7-5-17(14)25-18(26-19)13-8-12(20)2-3-15(13)21;1-18(2,3)26-17(25)24-7-6-14-12(9-24)15(19)23-16(22-14)11-8-10(20)4-5-13(11)21;1-18(2,3)26-17(25)23-7-6-14-12(9-23)16(24)22-15(21-14)11-8-10(19)4-5-13(11)20;14-7-1-2-10(15)8(5-7)12-17-11-3-4-16-6-9(11)13(19)18-12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;8-4-1-2-6(9)5(3-4)7(10)11;1-11-7(10)5-4-8-3-2-6(5)9;2*1-2(3)4;2*1-2-3;2-1(3)4;2-1-3;1-2;;;;/h5-7,9,11-12H,8,10,13H2,1-4H3,(H,27,28,29,30);2-4,6,8-9,23H,5,7,10H2,1H3,(H,22,24,25,26);4-5,8H,6-7,9H2,1-3H3;4-5,8H,6-7,9H2,1-3H3,(H,21,22,24);1-2,5,16H,3-4,6H2,(H,17,18,19);1-6H3;1-3H,(H3,10,11);5,8H,2-4H2,1H3;2*1H3,(H,3,4);3H,2H2,1H3;2H2,1H3;1H;1H2;1H3;1H4;1H;;/q;;;;;;;;;;;-1;;;;;;+1;.
What are the key properties of sodium;acetic acid;tert-butyl 4-bromo-2-(5-chloro-2-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-[(3-methyl-4-pyridinyl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;2-(5-chloro-2-fluorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one;diiodomethane;ethanol;ethanolate;iodoform;iodomethane;methane;methyl 4-oxopiperidine-3-carboxylate;palladium;hydrochloride?
sodium;acetic acid;tert-butyl 4-bromo-2-(5-chloro-2-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-[(3-methyl-4-pyridinyl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;2-(5-chloro-2-fluorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one;diiodomethane;ethanol;ethanolate;iodoform;iodomethane;methane;methyl 4-oxopiperidine-3-carboxylate;palladium;hydrochloride has a molecular weight of 3686.68 g/mol, XLogP of 27.12, 11 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetic acid;tert-butyl 4-bromo-2-(5-chloro-2-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-[(3-methyl-4-pyridinyl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-chloro-2-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;2-(5-chloro-2-fluorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one;diiodomethane;ethanol;ethanolate;iodoform;iodomethane;methane;methyl 4-oxopiperidine-3-carboxylate;palladium;hydrochloride is sourced from PubChem (CID 161056646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).