N-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methylbutyl)pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine

C132H118Cl2F8N26O2 — CID 159587016

IUPACN-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methylbutyl)pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
SMILESCCc1ccn2c(-c3ccnc(NCCC(C)C)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4ccc(Cl)cc4Cl)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4ccc(OC)cc4)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4cccc(C(F)(F)F)c4)n3)c(-c3ccc(F)cc3)nc2c1.COc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)cc1
InChIInChI=1S/C28H27FN6O.C27H21F4N5.C27H24FN5O.C26H20Cl2FN5.C24H26FN5/c1-34(2)18-20-13-15-35-25(16-20)33-26(21-6-8-22(29)9-7-21)27(35)24-12-14-30-28(32-24)31-17-19-4-10-23(36-3)11-5-19;1-2-17-11-13-36-23(15-17)35-24(19-6-8-21(28)9-7-19)25(36)22-10-12-32-26(34-22)33-16-18-4-3-5-20(14-18)27(29,30)31;1-3-18-13-15-33-24(16-18)32-25(20-6-8-21(28)9-7-20)26(33)23-12-14-29-27(31-23)30-17-19-4-10-22(34-2)11-5-19;1-2-16-10-12-34-23(13-16)33-24(17-4-7-20(29)8-5-17)25(34)22-9-11-30-26(32-22)31-15-18-3-6-19(27)14-21(18)28;1-4-17-11-14-30-21(15-17)29-22(18-5-7-19(25)8-6-18)23(30)20-10-13-27-24(28-20)26-12-9-16(2)3/h4-16H,17-18H2,1-3H3,(H,30,31,32);3-15H,2,16H2,1H3,(H,32,33,34);4-16H,3,17H2,1-2H3,(H,29,30,31);3-14H,2,15H2,1H3,(H,30,31,32);5-8,10-11,13-16H,4,9,12H2,1-3H3,(H,26,27,28)
InChIKeyMJTAZXDYUNKIAT-UHFFFAOYSA-N
MW2323.47 g/mol
LogP30.55
Rot. Bonds34

About N-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methylbutyl)pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine

N-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methylbutyl)pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine (PubChem CID 159587016) has the molecular formula C132H118Cl2F8N26O2 and a molecular weight of 2323.47 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methylbutyl)pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methylbutyl)pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
PubChem CID159587016
Molecular FormulaC132H118Cl2F8N26O2
Molecular Weight2323.47 g/mol
Exact Mass2320.92
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methylbutyl)pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
SMILESCCc1ccn2c(-c3ccnc(NCCC(C)C)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4ccc(Cl)cc4Cl)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4ccc(OC)cc4)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4cccc(C(F)(F)F)c4)n3)c(-c3ccc(F)cc3)nc2c1.COc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)cc1
InChIInChI=1S/C28H27FN6O.C27H21F4N5.C27H24FN5O.C26H20Cl2FN5.C24H26FN5/c1-34(2)18-20-13-15-35-25(16-20)33-26(21-6-8-22(29)9-7-21)27(35)24-12-14-30-28(32-24)31-17-19-4-10-23(36-3)11-5-19;1-2-17-11-13-36-23(15-17)35-24(19-6-8-21(28)9-7-19)25(36)22-10-12-32-26(34-22)33-16-18-4-3-5-20(14-18)27(29,30)31;1-3-18-13-15-33-24(16-18)32-25(20-6-8-21(28)9-7-20)26(33)23-12-14-29-27(31-23)30-17-19-4-10-22(34-2)11-5-19;1-2-16-10-12-34-23(13-16)33-24(17-4-7-20(29)8-5-17)25(34)22-9-11-30-26(32-22)31-15-18-3-6-19(27)14-21(18)28;1-4-17-11-14-30-21(15-17)29-22(18-5-7-19(25)8-6-18)23(30)20-10-13-27-24(28-20)26-12-9-16(2)3/h4-16H,17-18H2,1-3H3,(H,30,31,32);3-15H,2,16H2,1H3,(H,32,33,34);4-16H,3,17H2,1-2H3,(H,29,30,31);3-14H,2,15H2,1H3,(H,30,31,32);5-8,10-11,13-16H,4,9,12H2,1-3H3,(H,26,27,28)
InChIKeyMJTAZXDYUNKIAT-UHFFFAOYSA-N
XLogP30.55
TPSA297.25 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds34
Heavy Atoms170
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002323.47
LogP ≤ 530.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze N-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methylbutyl)pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methylbutyl)pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methylbutyl)pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine (CID 159587016) is N-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methylbutyl)pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methylbutyl)pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methylbutyl)pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine is CCc1ccn2c(-c3ccnc(NCCC(C)C)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4ccc(Cl)cc4Cl)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4ccc(OC)cc4)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4cccc(C(F)(F)F)c4)n3)c(-c3ccc(F)cc3)nc2c1.COc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methylbutyl)pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The InChIKey is MJTAZXDYUNKIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O.C27H21F4N5.C27H24FN5O.C26H20Cl2FN5.C24H26FN5/c1-34(2)18-20-13-15-35-25(16-20)33-26(21-6-8-22(29)9-7-21)27(35)24-12-14-30-28(32-24)31-17-19-4-10-23(36-3)11-5-19;1-2-17-11-13-36-23(15-17)35-24(19-6-8-21(28)9-7-19)25(36)22-10-12-32-26(34-22)33-16-18-4-3-5-20(14-18)27(29,30)31;1-3-18-13-15-33-24(16-18)32-25(20-6-8-21(28)9-7-20)26(33)23-12-14-29-27(31-23)30-17-19-4-10-22(34-2)11-5-19;1-2-16-10-12-34-23(13-16)33-24(17-4-7-20(29)8-5-17)25(34)22-9-11-30-26(32-22)31-15-18-3-6-19(27)14-21(18)28;1-4-17-11-14-30-21(15-17)29-22(18-5-7-19(25)8-6-18)23(30)20-10-13-27-24(28-20)26-12-9-16(2)3/h4-16H,17-18H2,1-3H3,(H,30,31,32);3-15H,2,16H2,1H3,(H,32,33,34);4-16H,3,17H2,1-2H3,(H,29,30,31);3-14H,2,15H2,1H3,(H,30,31,32);5-8,10-11,13-16H,4,9,12H2,1-3H3,(H,26,27,28).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methylbutyl)pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
N-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methylbutyl)pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 2323.47 g/mol, XLogP of 30.55, 34 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methylbutyl)pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 159587016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).