N-[(3-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine

C104H90ClF9N20 — CID 158145853

IUPACN-[(3-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
SMILESCCCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CC)ccn23)n1.CCc1ccn2c(-c3ccnc(NCc4ccc(C(F)(F)F)cc4)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4ccc(F)c(F)c4)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4cccc(Cl)c4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H21F4N5.C26H21ClFN5.C26H20F3N5.C25H28FN5/c1-2-17-12-14-36-23(15-17)35-24(19-5-9-21(28)10-6-19)25(36)22-11-13-32-26(34-22)33-16-18-3-7-20(8-4-18)27(29,30)31;1-2-17-11-13-33-23(15-17)32-24(19-6-8-21(28)9-7-19)25(33)22-10-12-29-26(31-22)30-16-18-4-3-5-20(27)14-18;1-2-16-10-12-34-23(14-16)33-24(18-4-6-19(27)7-5-18)25(34)22-9-11-30-26(32-22)31-15-17-3-8-20(28)21(29)13-17;1-3-5-6-7-14-27-25-28-15-12-21(29-25)24-23(19-8-10-20(26)11-9-19)30-22-17-18(4-2)13-16-31(22)24/h3-15H,2,16H2,1H3,(H,32,33,34);3-15H,2,16H2,1H3,(H,29,30,31);3-14H,2,15H2,1H3,(H,30,31,32);8-13,15-17H,3-7,14H2,1-2H3,(H,27,28,29)
InChIKeyFUMVLGJGOXGOIN-UHFFFAOYSA-N
MW1826.44 g/mol
LogP25.42
Rot. Bonds27

About N-[(3-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine

N-[(3-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine (PubChem CID 158145853) has the molecular formula C104H90ClF9N20 and a molecular weight of 1826.44 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
PubChem CID158145853
Molecular FormulaC104H90ClF9N20
Molecular Weight1826.44 g/mol
Exact Mass1824.72
IUPAC NameN-[(3-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
SMILESCCCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CC)ccn23)n1.CCc1ccn2c(-c3ccnc(NCc4ccc(C(F)(F)F)cc4)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4ccc(F)c(F)c4)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4cccc(Cl)c4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H21F4N5.C26H21ClFN5.C26H20F3N5.C25H28FN5/c1-2-17-12-14-36-23(15-17)35-24(19-5-9-21(28)10-6-19)25(36)22-11-13-32-26(34-22)33-16-18-3-7-20(8-4-18)27(29,30)31;1-2-17-11-13-33-23(15-17)32-24(19-6-8-21(28)9-7-19)25(33)22-10-12-29-26(31-22)30-16-18-4-3-5-20(27)14-18;1-2-16-10-12-34-23(14-16)33-24(18-4-6-19(27)7-5-18)25(34)22-9-11-30-26(32-22)31-15-17-3-8-20(28)21(29)13-17;1-3-5-6-7-14-27-25-28-15-12-21(29-25)24-23(19-8-10-20(26)11-9-19)30-22-17-18(4-2)13-16-31(22)24/h3-15H,2,16H2,1H3,(H,32,33,34);3-15H,2,16H2,1H3,(H,29,30,31);3-14H,2,15H2,1H3,(H,30,31,32);8-13,15-17H,3-7,14H2,1-2H3,(H,27,28,29)
InChIKeyFUMVLGJGOXGOIN-UHFFFAOYSA-N
XLogP25.42
TPSA220.44 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001826.44
LogP ≤ 525.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(3-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

(3-Chlorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744270
1-(3-chloro-phenyl)-N1-{4-[8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]pyrazin-3-yl]-pyrimidin-2-yl}-ethane-1,2-diamine
CID 66546336
US11420970, Example 180
CID 156073156
US11420970, Example 196
CID 156073192
US11420970, Example 200
CID 156073193
US11420970, Example 246
CID 156073202
US11420970, Example 221
CID 156073276
US11420970, Example 191
CID 156073324
US11420970, Example 240
CID 156073385
US11420970, Example 237
CID 156073470
US11420970, Example 238
CID 156073473
US11420970, Example 205
CID 164850533

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine (CID 158145853) is N-[(3-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine is CCCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CC)ccn23)n1.CCc1ccn2c(-c3ccnc(NCc4ccc(C(F)(F)F)cc4)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4ccc(F)c(F)c4)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4cccc(Cl)c4)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The InChIKey is FUMVLGJGOXGOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F4N5.C26H21ClFN5.C26H20F3N5.C25H28FN5/c1-2-17-12-14-36-23(15-17)35-24(19-5-9-21(28)10-6-19)25(36)22-11-13-32-26(34-22)33-16-18-3-7-20(8-4-18)27(29,30)31;1-2-17-11-13-33-23(15-17)32-24(19-6-8-21(28)9-7-19)25(33)22-10-12-29-26(31-22)30-16-18-4-3-5-20(27)14-18;1-2-16-10-12-34-23(14-16)33-24(18-4-6-19(27)7-5-18)25(34)22-9-11-30-26(32-22)31-15-17-3-8-20(28)21(29)13-17;1-3-5-6-7-14-27-25-28-15-12-21(29-25)24-23(19-8-10-20(26)11-9-19)30-22-17-18(4-2)13-16-31(22)24/h3-15H,2,16H2,1H3,(H,32,33,34);3-15H,2,16H2,1H3,(H,29,30,31);3-14H,2,15H2,1H3,(H,30,31,32);8-13,15-17H,3-7,14H2,1-2H3,(H,27,28,29).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
N-[(3-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 1826.44 g/mol, XLogP of 25.42, 27 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 158145853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).