2-(2-chlorophenyl)-5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C81H71Cl3F5N21 — CID 162171017

IUPAC2-(2-chlorophenyl)-5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(-c3ccccc3Cl)nc(C)c2C)n[nH]1.Clc1ccccc1-c1nc2c(c(Nc3n[nH]c4ccccc34)n1)CCCCC2.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCNC4)c2c1.Fc1cccc2c(Nc3nc(-c4ccccc4Cl)nc4c3CCCCC4)n[nH]c12
InChIInChI=1S/C22H19ClFN5.C22H20ClN5.C21H16F4N6.C16H16ClN5/c23-16-10-5-4-7-13(16)20-25-18-12-3-1-2-8-14(18)21(26-20)27-22-15-9-6-11-17(24)19(15)28-29-22;23-17-11-6-4-8-14(17)20-24-18-12-3-1-2-9-15(18)21(25-20)26-22-16-10-5-7-13-19(16)27-28-22;22-11-5-6-16-14(9-11)20(31-30-16)29-19-13-7-8-26-10-17(13)27-18(28-19)12-3-1-2-4-15(12)21(23,24)25;1-9-8-14(22-21-9)19-15-10(2)11(3)18-16(20-15)12-6-4-5-7-13(12)17/h4-7,9-11H,1-3,8,12H2,(H2,25,26,27,28,29);4-8,10-11,13H,1-3,9,12H2,(H2,24,25,26,27,28);1-6,9,26H,7-8,10H2,(H2,27,28,29,30,31);4-8H,1-3H3,(H2,18,19,20,21,22)
InChIKeyZNUCVLIXZUFPJV-UHFFFAOYSA-N
MW1539.95 g/mol
LogP20.27
Rot. Bonds12

About 2-(2-chlorophenyl)-5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

2-(2-chlorophenyl)-5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 162171017) has the molecular formula C81H71Cl3F5N21 and a molecular weight of 1539.95 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID162171017
Molecular FormulaC81H71Cl3F5N21
Molecular Weight1539.95 g/mol
Exact Mass1537.52
IUPAC Name2-(2-chlorophenyl)-5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(-c3ccccc3Cl)nc(C)c2C)n[nH]1.Clc1ccccc1-c1nc2c(c(Nc3n[nH]c4ccccc34)n1)CCCCC2.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCNC4)c2c1.Fc1cccc2c(Nc3nc(-c4ccccc4Cl)nc4c3CCCCC4)n[nH]c12
InChIInChI=1S/C22H19ClFN5.C22H20ClN5.C21H16F4N6.C16H16ClN5/c23-16-10-5-4-7-13(16)20-25-18-12-3-1-2-8-14(18)21(26-20)27-22-15-9-6-11-17(24)19(15)28-29-22;23-17-11-6-4-8-14(17)20-24-18-12-3-1-2-9-15(18)21(25-20)26-22-16-10-5-7-13-19(16)27-28-22;22-11-5-6-16-14(9-11)20(31-30-16)29-19-13-7-8-26-10-17(13)27-18(28-19)12-3-1-2-4-15(12)21(23,24)25;1-9-8-14(22-21-9)19-15-10(2)11(3)18-16(20-15)12-6-4-5-7-13(12)17/h4-7,9-11H,1-3,8,12H2,(H2,25,26,27,28,29);4-8,10-11,13H,1-3,9,12H2,(H2,24,25,26,27,28);1-6,9,26H,7-8,10H2,(H2,27,28,29,30,31);4-8H,1-3H3,(H2,18,19,20,21,22)
InChIKeyZNUCVLIXZUFPJV-UHFFFAOYSA-N
XLogP20.27
TPSA277.99 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001539.95
LogP ≤ 520.27
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze 2-(2-chlorophenyl)-5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[6-(2-chlorophenyl)-2,3-dimethyl-4-pyridinyl]-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-5-fluoro-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine
CID 157053794
7-(2-chlorophenyl)-N-(1H-indazol-3-yl)-1,6-naphthyridin-5-amine;3-(2-chlorophenyl)-N-(1H-indazol-3-yl)-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(5-fluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine
CID 157212739
N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-1H-indazol-3-amine;N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine;5,7-difluoro-N-[4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine;N-[4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine
CID 157322578
N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[5-ethyl-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 157337387
2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine;N-[2-cyclohexyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine;N-[2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine
CID 157392101
3-(2-chlorophenyl)-N-(1H-indazol-3-yl)-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(5-fluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine;5-fluoro-N-[4-phenyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine
CID 157482676
N-[2-(2-chlorophenyl)-6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;2-[2-[2-(2-chlorophenyl)-6-[(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]ethyl-methylamino]-N,N-dimethylacetamide;5-fluoro-N-[6-(2-piperazin-1-ylethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 157595324
5-chloro-3-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]quinoline;1-[[5-chloro-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 157700796
N-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-5,7-difluoro-1H-indazol-3-amine;N-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-fluoro-1H-indazol-3-amine;N-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine
CID 157768311
N-[5-(2-chlorophenyl)-1,2,4-triazin-3-yl]-5-fluoro-1H-indazol-3-amine;N-[5-(2-chlorophenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine;bis(N-[6-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine)
CID 157921784
N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2-chlorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2-chlorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]-1H-indazol-3-amine;N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine
CID 157974937
2-(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinolin-4-amine;2-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinolin-4-amine
CID 158012971

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 162171017) is 2-(2-chlorophenyl)-5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is Cc1cc(Nc2nc(-c3ccccc3Cl)nc(C)c2C)n[nH]1.Clc1ccccc1-c1nc2c(c(Nc3n[nH]c4ccccc34)n1)CCCCC2.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCNC4)c2c1.Fc1cccc2c(Nc3nc(-c4ccccc4Cl)nc4c3CCCCC4)n[nH]c12.
What is the InChIKey of 2-(2-chlorophenyl)-5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is ZNUCVLIXZUFPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5.C22H20ClN5.C21H16F4N6.C16H16ClN5/c23-16-10-5-4-7-13(16)20-25-18-12-3-1-2-8-14(18)21(26-20)27-22-15-9-6-11-17(24)19(15)28-29-22;23-17-11-6-4-8-14(17)20-24-18-12-3-1-2-9-15(18)21(25-20)26-22-16-10-5-7-13-19(16)27-28-22;22-11-5-6-16-14(9-11)20(31-30-16)29-19-13-7-8-26-10-17(13)27-18(28-19)12-3-1-2-4-15(12)21(23,24)25;1-9-8-14(22-21-9)19-15-10(2)11(3)18-16(20-15)12-6-4-5-7-13(12)17/h4-7,9-11H,1-3,8,12H2,(H2,25,26,27,28,29);4-8,10-11,13H,1-3,9,12H2,(H2,24,25,26,27,28);1-6,9,26H,7-8,10H2,(H2,27,28,29,30,31);4-8H,1-3H3,(H2,18,19,20,21,22).
What are the key properties of 2-(2-chlorophenyl)-5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
2-(2-chlorophenyl)-5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 1539.95 g/mol, XLogP of 20.27, 12 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 162171017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).