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]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine

C90H75Cl5F4N16O2 — CID 157147227

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]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncnc2c1ccn2Cc1ccc(OC)cc1.CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncnc2[nH]ccc12.COc1ccc(Cn2ccc3c(Nc4cc(-c5cc(Cl)ccc5F)ncc4C(C)C)ncnc32)cc1
InChIInChI=1S/C28H25ClFN5O.C28H23ClFN5O.C20H17ClFN5.C14H10Cl2FN/c2*1-17(2)23-14-31-25(22-12-19(29)6-9-24(22)30)13-26(23)34-27-21-10-11-35(28(21)33-16-32-27)15-18-4-7-20(36-3)8-5-18;1-11(2)15-9-24-17(14-7-12(21)3-4-16(14)22)8-18(15)27-20-13-5-6-23-19(13)25-10-26-20;1-8(2)11-7-18-14(6-12(11)16)10-5-9(15)3-4-13(10)17/h4-14,16-17H,15H2,1-3H3,(H,31,32,33,34);4-14,16H,1,15H2,2-3H3,(H,31,32,33,34);3-11H,1-2H3,(H2,23,24,25,26,27);3-7H,1H2,2H3
InChIKeyAKVPADWKBSVXEC-UHFFFAOYSA-N
MW1665.96 g/mol
LogP25.24
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]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-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]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 157147227) has the molecular formula C90H75Cl5F4N16O2 and a molecular weight of 1665.96 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]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-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]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID157147227
Molecular FormulaC90H75Cl5F4N16O2
Molecular Weight1665.96 g/mol
Exact Mass1662.46
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]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncnc2c1ccn2Cc1ccc(OC)cc1.CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncnc2[nH]ccc12.COc1ccc(Cn2ccc3c(Nc4cc(-c5cc(Cl)ccc5F)ncc4C(C)C)ncnc32)cc1
InChIInChI=1S/C28H25ClFN5O.C28H23ClFN5O.C20H17ClFN5.C14H10Cl2FN/c2*1-17(2)23-14-31-25(22-12-19(29)6-9-24(22)30)13-26(23)34-27-21-10-11-35(28(21)33-16-32-27)15-18-4-7-20(36-3)8-5-18;1-11(2)15-9-24-17(14-7-12(21)3-4-16(14)22)8-18(15)27-20-13-5-6-23-19(13)25-10-26-20;1-8(2)11-7-18-14(6-12(11)16)10-5-9(15)3-4-13(10)17/h4-14,16-17H,15H2,1-3H3,(H,31,32,33,34);4-14,16H,1,15H2,2-3H3,(H,31,32,33,34);3-11H,1-2H3,(H2,23,24,25,26,27);3-7H,1H2,2H3
InChIKeyAKVPADWKBSVXEC-UHFFFAOYSA-N
XLogP25.24
TPSA209.10 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001665.96
LogP ≤ 525.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

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]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-6-(2,6-dichlorophenyl)-N-(3-fluoro-4-methoxybenzyl)-7-(piperidin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 44250585
6-(2,6-dichlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-7-(piperidin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 67416447
2-(4-Tert-butylphenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine;2-(4-chlorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 88206385
N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 118211360
N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 118211403
N-[(1S)-1-[3-[4-[(3R)-4-[[(1S)-1-(4-chloro-3-methoxyphenyl)ethyl]carbamoyl]-3-methylpiperazin-1-yl]-6-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-fluorophenyl]ethyl]-4-[6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide
CID 137551638
8-cyclopropyl-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;8-cyclopropyl-N-(3-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine;3-fluoropyridin-4-amine
CID 157749414
6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 157881080
14-Chloro-10-[2-(4-methoxyphenyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene
CID 157963397
2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
CID 157977837
N-[(2-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;5-[(3,5-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-6-amine;5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 157991844
2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluorophenyl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluorophenyl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluorophenyl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 158033314

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]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-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]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 157147227) 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]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-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]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-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]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine is C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncnc2c1ccn2Cc1ccc(OC)cc1.CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncnc2[nH]ccc12.COc1ccc(Cn2ccc3c(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]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is AKVPADWKBSVXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClFN5O.C28H23ClFN5O.C20H17ClFN5.C14H10Cl2FN/c2*1-17(2)23-14-31-25(22-12-19(29)6-9-24(22)30)13-26(23)34-27-21-10-11-35(28(21)33-16-32-27)15-18-4-7-20(36-3)8-5-18;1-11(2)15-9-24-17(14-7-12(21)3-4-16(14)22)8-18(15)27-20-13-5-6-23-19(13)25-10-26-20;1-8(2)11-7-18-14(6-12(11)16)10-5-9(15)3-4-13(10)17/h4-14,16-17H,15H2,1-3H3,(H,31,32,33,34);4-14,16H,1,15H2,2-3H3,(H,31,32,33,34);3-11H,1-2H3,(H2,23,24,25,26,27);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]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-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]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 1665.96 g/mol, XLogP of 25.24, 20 rotatable bonds, 4 hydrogen bond donors, and 17 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]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 157147227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).