4-chloro-2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylate

C73H58Cl5F4N17O11 — CID 159674176

IUPAC4-chloro-2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1N.COC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1OC.COc1cnc(-c2cc(Cl)ccc2F)nc1Cl.COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NC1CC1.COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)O
InChIInChI=1S/C20H17ClFN5O2.C18H14ClFN4O3.C17H12ClFN4O3.C11H7Cl2FN2O.C7H8N2O2/c1-29-17-10-24-18(13-8-11(21)2-5-15(13)22)27-19(17)26-16-6-7-23-9-14(16)20(28)25-12-3-4-12;1-26-15-9-22-16(11-7-10(19)3-4-13(11)20)24-17(15)23-14-5-6-21-8-12(14)18(25)27-2;1-26-14-8-21-15(10-6-9(18)2-3-12(10)19)23-16(14)22-13-4-5-20-7-11(13)17(24)25;1-17-9-5-15-11(16-10(9)13)7-4-6(12)2-3-8(7)14;1-11-7(10)5-4-9-3-2-6(5)8/h2,5-10,12H,3-4H2,1H3,(H,25,28)(H,23,24,26,27);3-9H,1-2H3,(H,21,22,23,24);2-8H,1H3,(H,24,25)(H,20,21,22,23);2-5H,1H3;2-4H,1H3,(H2,8,9)
InChIKeyMUJOCFMMHSSRMO-UHFFFAOYSA-N
MW1602.63 g/mol
LogP15.68
Rot. Bonds19

About 4-chloro-2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylate

4-chloro-2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylate (PubChem CID 159674176) has the molecular formula C73H58Cl5F4N17O11 and a molecular weight of 1602.63 g/mol. Its IUPAC name is 4-chloro-2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Name4-chloro-2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylate
PubChem CID159674176
Molecular FormulaC73H58Cl5F4N17O11
Molecular Weight1602.63 g/mol
Exact Mass1599.29
IUPAC Name4-chloro-2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1N.COC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1OC.COc1cnc(-c2cc(Cl)ccc2F)nc1Cl.COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NC1CC1.COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)O
InChIInChI=1S/C20H17ClFN5O2.C18H14ClFN4O3.C17H12ClFN4O3.C11H7Cl2FN2O.C7H8N2O2/c1-29-17-10-24-18(13-8-11(21)2-5-15(13)22)27-19(17)26-16-6-7-23-9-14(16)20(28)25-12-3-4-12;1-26-15-9-22-16(11-7-10(19)3-4-13(11)20)24-17(15)23-14-5-6-21-8-12(14)18(25)27-2;1-26-14-8-21-15(10-6-9(18)2-3-12(10)19)23-16(14)22-13-4-5-20-7-11(13)17(24)25;1-17-9-5-15-11(16-10(9)13)7-4-6(12)2-3-8(7)14;1-11-7(10)5-4-9-3-2-6(5)8/h2,5-10,12H,3-4H2,1H3,(H,25,28)(H,23,24,26,27);3-9H,1-2H3,(H,21,22,23,24);2-8H,1H3,(H,24,25)(H,20,21,22,23);2-5H,1H3;2-4H,1H3,(H2,8,9)
InChIKeyMUJOCFMMHSSRMO-UHFFFAOYSA-N
XLogP15.68
TPSA372.71 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001602.63
LogP ≤ 515.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 4-chloro-2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylate with MolForge

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Related Compounds

Ethyl 4-[[4-[[2-(5-chloro-2-fluorophenyl)-5-phenylmethoxypyrimidin-4-yl]amino]pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 60100742
4-[[2-(5-Chloro-2-fluorophenyl)-5-phenylmethoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethane
CID 143652621
4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;bis(4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid);cyclopropanamine;methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 157269846
4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[7-[bis[(4-methoxyphenyl)methyl]amino]-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide
CID 157454131
4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
CID 157501739
7-Chloro-3-phenyl-1-propan-2-yl-1,6-naphthyridin-2-one;6-chloro-4-(propan-2-ylamino)pyridine-3-carbaldehyde;[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]methanol;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-propan-2-yl-1,6-naphthyridin-2-one;dioxomanganese;ethyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 2-phenylacetate;propan-2-amine
CID 157646943
sodium;4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide
CID 157899585
4-chloro-2-(5-chloro-2-fluorophenyl)-N,N-dimethylpyrimidin-5-amine;2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-1H-pyrimidin-6-one;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate;methyl 2-(dimethylamino)acetate
CID 158038858
magnesium;(2S)-1-aminopropan-2-ol;4-aminopyrimidine-5-carboxylic acid;carbanide;4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyrimidine-5-carboxamide;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methane;methyl 4-aminopyrimidine-5-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;sulfane;bromide
CID 158053782
4-Chloro-2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidine;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-ethylpyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 158129749
7-Chloro-3-(2,6-difluorophenyl)-1-propan-2-yl-1,6-naphthyridin-2-one;6-chloro-4-(propan-2-ylamino)pyridine-3-carbaldehyde;[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]methanol;3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-propan-2-yl-1,6-naphthyridin-2-one;ethyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 2-(2,6-difluorophenyl)acetate;propan-2-amine
CID 158324007
4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(fluoro)methane;methane
CID 158372506

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylate?
The IUPAC name of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylate (CID 159674176) is 4-chloro-2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylate.
What is the SMILES notation for 4-chloro-2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for 4-chloro-2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylate is COC(=O)c1cnccc1N.COC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1OC.COc1cnc(-c2cc(Cl)ccc2F)nc1Cl.COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NC1CC1.COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)O.
What is the InChIKey of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylate?
The InChIKey is MUJOCFMMHSSRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN5O2.C18H14ClFN4O3.C17H12ClFN4O3.C11H7Cl2FN2O.C7H8N2O2/c1-29-17-10-24-18(13-8-11(21)2-5-15(13)22)27-19(17)26-16-6-7-23-9-14(16)20(28)25-12-3-4-12;1-26-15-9-22-16(11-7-10(19)3-4-13(11)20)24-17(15)23-14-5-6-21-8-12(14)18(25)27-2;1-26-14-8-21-15(10-6-9(18)2-3-12(10)19)23-16(14)22-13-4-5-20-7-11(13)17(24)25;1-17-9-5-15-11(16-10(9)13)7-4-6(12)2-3-8(7)14;1-11-7(10)5-4-9-3-2-6(5)8/h2,5-10,12H,3-4H2,1H3,(H,25,28)(H,23,24,26,27);3-9H,1-2H3,(H,21,22,23,24);2-8H,1H3,(H,24,25)(H,20,21,22,23);2-5H,1H3;2-4H,1H3,(H2,8,9).
What are the key properties of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylate?
4-chloro-2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylate has a molecular weight of 1602.63 g/mol, XLogP of 15.68, 19 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 159674176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).