7-(3-chloro-2-pyridinyl)-N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N,N-dimethyl-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid

C112H103Cl5F15N31O7 — CID 161389184

IUPAC7-(3-chloro-2-pyridinyl)-N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N,N-dimethyl-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid
SMILESCN(C)C(=O)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.CN(C)CCNC(=O)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.NC(=O)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.O=C(NCCN1CCOCC1)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.O=C(O)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2
InChIInChI=1S/C26H27ClF3N7O2.C24H25ClF3N7O.C22H20ClF3N6O.C20H16ClF3N6O.C20H15ClF3N5O2/c27-20-2-1-8-31-24(20)37-10-7-19-21(16-37)34-23(25(38)32-9-11-36-12-14-39-15-13-36)35-22(19)33-18-5-3-17(4-6-18)26(28,29)30;1-34(2)13-11-30-23(36)21-32-19-14-35(22-18(25)4-3-10-29-22)12-9-17(19)20(33-21)31-16-7-5-15(6-8-16)24(26,27)28;1-31(2)21(33)19-29-17-12-32(20-16(23)4-3-10-27-20)11-9-15(17)18(30-19)28-14-7-5-13(6-8-14)22(24,25)26;21-14-2-1-8-26-19(14)30-9-7-13-15(10-30)28-18(16(25)31)29-17(13)27-12-5-3-11(4-6-12)20(22,23)24;21-14-2-1-8-25-18(14)29-9-7-13-15(10-29)27-17(19(30)31)28-16(13)26-12-5-3-11(4-6-12)20(22,23)24/h1-6,8H,7,9-16H2,(H,32,38)(H,33,34,35);3-8,10H,9,11-14H2,1-2H3,(H,30,36)(H,31,32,33);3-8,10H,9,11-12H2,1-2H3,(H,28,29,30);1-6,8H,7,9-10H2,(H2,25,31)(H,27,28,29);1-6,8H,7,9-10H2,(H,30,31)(H,26,27,28)
InChIKeyVSTGZNUAXHPCOB-UHFFFAOYSA-N
MW2457.50 g/mol
LogP21.10
Rot. Bonds26

About 7-(3-chloro-2-pyridinyl)-N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N,N-dimethyl-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid

7-(3-chloro-2-pyridinyl)-N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N,N-dimethyl-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid (PubChem CID 161389184) has the molecular formula C112H103Cl5F15N31O7 and a molecular weight of 2457.50 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N,N-dimethyl-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N,N-dimethyl-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid
PubChem CID161389184
Molecular FormulaC112H103Cl5F15N31O7
Molecular Weight2457.50 g/mol
Exact Mass2453.69
IUPAC Name7-(3-chloro-2-pyridinyl)-N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N,N-dimethyl-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid
SMILESCN(C)C(=O)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.CN(C)CCNC(=O)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.NC(=O)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.O=C(NCCN1CCOCC1)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.O=C(O)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2
InChIInChI=1S/C26H27ClF3N7O2.C24H25ClF3N7O.C22H20ClF3N6O.C20H16ClF3N6O.C20H15ClF3N5O2/c27-20-2-1-8-31-24(20)37-10-7-19-21(16-37)34-23(25(38)32-9-11-36-12-14-39-15-13-36)35-22(19)33-18-5-3-17(4-6-18)26(28,29)30;1-34(2)13-11-30-23(36)21-32-19-14-35(22-18(25)4-3-10-29-22)12-9-17(19)20(33-21)31-16-7-5-15(6-8-16)24(26,27)28;1-31(2)21(33)19-29-17-12-32(20-16(23)4-3-10-27-20)11-9-15(17)18(30-19)28-14-7-5-13(6-8-14)22(24,25)26;21-14-2-1-8-26-19(14)30-9-7-13-15(10-30)28-18(16(25)31)29-17(13)27-12-5-3-11(4-6-12)20(22,23)24;21-14-2-1-8-25-18(14)29-9-7-13-15(10-29)27-17(19(30)31)28-16(13)26-12-5-3-11(4-6-12)20(22,23)24/h1-6,8H,7,9-16H2,(H,32,38)(H,33,34,35);3-8,10H,9,11-14H2,1-2H3,(H,30,36)(H,31,32,33);3-8,10H,9,11-12H2,1-2H3,(H,28,29,30);1-6,8H,7,9-10H2,(H2,25,31)(H,27,28,29);1-6,8H,7,9-10H2,(H,30,31)(H,26,27,28)
InChIKeyVSTGZNUAXHPCOB-UHFFFAOYSA-N
XLogP21.10
TPSA444.31 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds26
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002457.50
LogP ≤ 521.10
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Analyze 7-(3-chloro-2-pyridinyl)-N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N,N-dimethyl-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid with MolForge

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Related Compounds

7-(3-chloropyridin-2-yl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid
CID 11328394
7-(3-chloropyridin-2-yl)-N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 11410417
3-[[7-(3-chloropyridin-2-yl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-1-morpholin-4-ylpropan-1-one
CID 11444408
1-[4-[2-[[7-(3-chloropyridin-2-yl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperazin-1-yl]ethanone
CID 11753472
N-(3-morpholin-4-ylpropyl)-4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)pyridin-2-yl]pyrido[2,3-d]pyrimidine-2-carboxamide
CID 60107484
N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)pyridin-2-yl]pyrido[2,3-d]pyrimidine-2-carboxamide
CID 60107526
7-(3-chloro-2-pyridinyl)-N-propyl-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;ethane;ethane-1,2-diol
CID 143077964
2-[[5-Chloro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]-1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[7-(1,1-difluoroethyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-methyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone
CID 157279779
2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pyrrolidin-1-yl-[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methanone;[1-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]methanol;2-[[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methylamino]acetic acid
CID 157376574
lithium;alumane;tert-butyl 3-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]-4,4-difluoropiperidine-1-carboxylate;tert-butyl 4,4-difluoro-3-[[[7-[4-[2-hydroxyethyl(methyl)amino]phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 3-[[[7-[4-[(2-ethoxy-2-oxoethyl)-methylamino]phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]-4,4-difluoropiperidine-1-carboxylate;chloromethane;2-[4-[5-[(4,4-difluoropiperidin-3-yl)methylamino]pyrido[3,4-b]pyrazin-7-yl]-N-methylanilino]ethanol;ethyl 2-[N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]acetate;hydride;methane;oxolane
CID 157586118
7-(3-chloro-2-pyridinyl)-2-(2-imidazol-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(2-pyridin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;1-[4-[2-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidine-4-carboxylic acid
CID 157702102
(2S)-2-amino-3-[[4-(3-chlorophenyl)pyrimidin-2-yl]-[4-(trifluoromethyl)phenyl]carbamoyl]oxypropanoic acid;2-[[4-(3-chlorophenyl)pyrimidin-2-yl]-[4-(trifluoromethyl)phenyl]carbamoyl]oxyethyl 2-aminopropanoate;2-[[4-(3-chlorophenyl)pyrimidin-2-yl]-[4-(trifluoromethyl)phenyl]carbamoyl]oxyethyl (2S)-2-aminopropanoate;2-morpholin-4-ylethyl N-[4-(3-chlorophenyl)pyrimidin-2-yl]-N-[4-(trifluoromethyl)phenyl]carbamate
CID 157996218

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N,N-dimethyl-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N,N-dimethyl-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid (CID 161389184) is 7-(3-chloro-2-pyridinyl)-N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N,N-dimethyl-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N,N-dimethyl-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N,N-dimethyl-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid is CN(C)C(=O)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.CN(C)CCNC(=O)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.NC(=O)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.O=C(NCCN1CCOCC1)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.O=C(O)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N,N-dimethyl-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid?
The InChIKey is VSTGZNUAXHPCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClF3N7O2.C24H25ClF3N7O.C22H20ClF3N6O.C20H16ClF3N6O.C20H15ClF3N5O2/c27-20-2-1-8-31-24(20)37-10-7-19-21(16-37)34-23(25(38)32-9-11-36-12-14-39-15-13-36)35-22(19)33-18-5-3-17(4-6-18)26(28,29)30;1-34(2)13-11-30-23(36)21-32-19-14-35(22-18(25)4-3-10-29-22)12-9-17(19)20(33-21)31-16-7-5-15(6-8-16)24(26,27)28;1-31(2)21(33)19-29-17-12-32(20-16(23)4-3-10-27-20)11-9-15(17)18(30-19)28-14-7-5-13(6-8-14)22(24,25)26;21-14-2-1-8-26-19(14)30-9-7-13-15(10-30)28-18(16(25)31)29-17(13)27-12-5-3-11(4-6-12)20(22,23)24;21-14-2-1-8-25-18(14)29-9-7-13-15(10-29)27-17(19(30)31)28-16(13)26-12-5-3-11(4-6-12)20(22,23)24/h1-6,8H,7,9-16H2,(H,32,38)(H,33,34,35);3-8,10H,9,11-14H2,1-2H3,(H,30,36)(H,31,32,33);3-8,10H,9,11-12H2,1-2H3,(H,28,29,30);1-6,8H,7,9-10H2,(H2,25,31)(H,27,28,29);1-6,8H,7,9-10H2,(H,30,31)(H,26,27,28).
What are the key properties of 7-(3-chloro-2-pyridinyl)-N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N,N-dimethyl-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid?
7-(3-chloro-2-pyridinyl)-N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N,N-dimethyl-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid has a molecular weight of 2457.50 g/mol, XLogP of 21.10, 26 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N,N-dimethyl-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 161389184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).