4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C87H72Cl5F4N19O2 — CID 157170843

IUPAC4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESC=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncnc2c1cnn2Cc1ccc(OC)cc1.CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncnc2[nH]ncc12.COc1ccc(Cn2ncc3c(Nc4cc(-c5cc(Cl)ccc5F)ncc4C(C)C)ncnc32)cc1
InChIInChI=1S/C27H24ClFN6O.C27H22ClFN6O.C19H16ClFN6.C14H10Cl2FN/c2*1-16(2)21-12-30-24(20-10-18(28)6-9-23(20)29)11-25(21)34-26-22-13-33-35(27(22)32-15-31-26)14-17-4-7-19(36-3)8-5-17;1-10(2)13-7-22-16(12-5-11(20)3-4-15(12)21)6-17(13)26-18-14-8-25-27-19(14)24-9-23-18;1-8(2)11-7-18-14(6-12(11)16)10-5-9(15)3-4-13(10)17/h4-13,15-16H,14H2,1-3H3,(H,30,31,32,34);4-13,15H,1,14H2,2-3H3,(H,30,31,32,34);3-10H,1-2H3,(H2,22,23,24,25,26,27);3-7H,1H2,2H3
InChIKeyANLFTBUAUKNKOF-UHFFFAOYSA-N
MW1668.92 g/mol
LogP23.42
Rot. Bonds20

About 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 157170843) has the molecular formula C87H72Cl5F4N19O2 and a molecular weight of 1668.92 g/mol. Its IUPAC name is 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID157170843
Molecular FormulaC87H72Cl5F4N19O2
Molecular Weight1668.92 g/mol
Exact Mass1665.45
IUPAC Name4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESC=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncnc2c1cnn2Cc1ccc(OC)cc1.CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncnc2[nH]ncc12.COc1ccc(Cn2ncc3c(Nc4cc(-c5cc(Cl)ccc5F)ncc4C(C)C)ncnc32)cc1
InChIInChI=1S/C27H24ClFN6O.C27H22ClFN6O.C19H16ClFN6.C14H10Cl2FN/c2*1-16(2)21-12-30-24(20-10-18(28)6-9-23(20)29)11-25(21)34-26-22-13-33-35(27(22)32-15-31-26)14-17-4-7-19(36-3)8-5-17;1-10(2)13-7-22-16(12-5-11(20)3-4-15(12)21)6-17(13)26-18-14-8-25-27-19(14)24-9-23-18;1-8(2)11-7-18-14(6-12(11)16)10-5-9(15)3-4-13(10)17/h4-13,15-16H,14H2,1-3H3,(H,30,31,32,34);4-13,15H,1,14H2,2-3H3,(H,30,31,32,34);3-10H,1-2H3,(H2,22,23,24,25,26,27);3-7H,1H2,2H3
InChIKeyANLFTBUAUKNKOF-UHFFFAOYSA-N
XLogP23.42
TPSA247.77 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001668.92
LogP ≤ 523.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

[5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-(4-methoxy-benzyl)-1H-pyrazol-3-yl]-(4-fluoro-benzyl)-amine
CID 58259346
N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-6-[(4-methoxyphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 118211056
N-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-(4-methoxyphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 118211057
N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118211121
N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118211142
N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-6-[(4-methoxyphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 118211170
N-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-(4-methoxyphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 118211171
6-[4-[[3-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxymethyl]-4-methylpiperidin-2-yl]-4-[(1,4-dimethylpiperidin-4-yl)methoxy]-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 146333247
N-(3,5-difluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157068880
4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine;N-(4,4-difluorocyclohexyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-pyridin-2-ylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-3-pyridin-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine
CID 157288059
N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(2-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(4-fluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-phenyl-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157307599
Bis(2-tert-butyl-7-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine);2-tert-butyl-7-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine;bis(2-tert-butyl-7-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine);2-tert-butyl-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-7-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-7-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-7-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-7-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine
CID 157681198

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 157170843) is 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncnc2c1cnn2Cc1ccc(OC)cc1.CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncnc2[nH]ncc12.COc1ccc(Cn2ncc3c(Nc4cc(-c5cc(Cl)ccc5F)ncc4C(C)C)ncnc32)cc1.
What is the InChIKey of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ANLFTBUAUKNKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN6O.C27H22ClFN6O.C19H16ClFN6.C14H10Cl2FN/c2*1-16(2)21-12-30-24(20-10-18(28)6-9-23(20)29)11-25(21)34-26-22-13-33-35(27(22)32-15-31-26)14-17-4-7-19(36-3)8-5-17;1-10(2)13-7-22-16(12-5-11(20)3-4-15(12)21)6-17(13)26-18-14-8-25-27-19(14)24-9-23-18;1-8(2)11-7-18-14(6-12(11)16)10-5-9(15)3-4-13(10)17/h4-13,15-16H,14H2,1-3H3,(H,30,31,32,34);4-13,15H,1,14H2,2-3H3,(H,30,31,32,34);3-10H,1-2H3,(H2,22,23,24,25,26,27);3-7H,1H2,2H3.
What are the key properties of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1668.92 g/mol, XLogP of 23.42, 20 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 157170843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).