4-[7-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-ethyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine

C55H47F6N11 — CID 91328060

IUPAC4-[7-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-ethyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
SMILESCCc1ccn2c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c(-c3cccc(C(F)(F)F)c3)nc2c1.C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3cc(CN)ccn23)n1)c1ccccc1
InChIInChI=1S/C28H24F3N5.C27H23F3N6/c1-3-19-13-15-36-24(16-19)35-25(21-10-7-11-22(17-21)28(29,30)31)26(36)23-12-14-32-27(34-23)33-18(2)20-8-5-4-6-9-20;1-17(19-6-3-2-4-7-19)33-26-32-12-10-22(34-26)25-24(20-8-5-9-21(15-20)27(28,29)30)35-23-14-18(16-31)11-13-36(23)25/h4-18H,3H2,1-2H3,(H,32,33,34);2-15,17H,16,31H2,1H3,(H,32,33,34)/t18-;17-/m00/s1
InChIKeyRXNLETIIIURIQP-NRYUZRROSA-N
MW976.05 g/mol
LogP13.32
Rot. Bonds12

About 4-[7-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-ethyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine

4-[7-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-ethyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine (PubChem CID 91328060) has the molecular formula C55H47F6N11 and a molecular weight of 976.05 g/mol. Its IUPAC name is 4-[7-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-ethyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-ethyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
PubChem CID91328060
Molecular FormulaC55H47F6N11
Molecular Weight976.05 g/mol
Exact Mass975.39
IUPAC Name4-[7-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-ethyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
SMILESCCc1ccn2c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c(-c3cccc(C(F)(F)F)c3)nc2c1.C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3cc(CN)ccn23)n1)c1ccccc1
InChIInChI=1S/C28H24F3N5.C27H23F3N6/c1-3-19-13-15-36-24(16-19)35-25(21-10-7-11-22(17-21)28(29,30)31)26(36)23-12-14-32-27(34-23)33-18(2)20-8-5-4-6-9-20;1-17(19-6-3-2-4-7-19)33-26-32-12-10-22(34-26)25-24(20-8-5-9-21(15-20)27(28,29)30)35-23-14-18(16-31)11-13-36(23)25/h4-18H,3H2,1-2H3,(H,32,33,34);2-15,17H,16,31H2,1H3,(H,32,33,34)/t18-;17-/m00/s1
InChIKeyRXNLETIIIURIQP-NRYUZRROSA-N
XLogP13.32
TPSA136.24 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500976.05
LogP ≤ 513.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 4-[7-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-ethyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine with MolForge

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Related Compounds

Abemaciclib
CID 46220502
L-790070
CID 9806182
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
9-Cyclopentyl-N-(5-Piperazin-1-Ylpyridin-2-Yl)pyrido[4,5]pyrrolo[1,2-D]pyrimidin-2-Amine
CID 44132585
US11420970, Example 198
CID 156073186
{4-[3-Methyl-2-piperidin-4-yl-5-(3-trifluoromethyl-phenyl)-3H-imidazol-4-yl]-pyrimidin-2-yl}-((R)-1-phenyl-ethyl)-amine
CID 656907
Cyclopentyl-{4-[2-(4-fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-amine
CID 9826083
4-(2-(4-Fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 9844057
2-Phenyl-3-[2-((S)-1-phenyl-ethylamino)-pyrimidin-4-yl]-imidazo[1,2-a]pyrimidin-7-ylamine
CID 9953203

Frequently Asked Questions

What is the IUPAC name of 4-[7-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-ethyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
The IUPAC name of 4-[7-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-ethyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine (CID 91328060) is 4-[7-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-ethyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[7-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-ethyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
The canonical SMILES for 4-[7-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-ethyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine is CCc1ccn2c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c(-c3cccc(C(F)(F)F)c3)nc2c1.C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3cc(CN)ccn23)n1)c1ccccc1.
What is the InChIKey of 4-[7-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-ethyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
The InChIKey is RXNLETIIIURIQP-NRYUZRROSA-N. The full InChI is InChI=1S/C28H24F3N5.C27H23F3N6/c1-3-19-13-15-36-24(16-19)35-25(21-10-7-11-22(17-21)28(29,30)31)26(36)23-12-14-32-27(34-23)33-18(2)20-8-5-4-6-9-20;1-17(19-6-3-2-4-7-19)33-26-32-12-10-22(34-26)25-24(20-8-5-9-21(15-20)27(28,29)30)35-23-14-18(16-31)11-13-36(23)25/h4-18H,3H2,1-2H3,(H,32,33,34);2-15,17H,16,31H2,1H3,(H,32,33,34)/t18-;17-/m00/s1.
What are the key properties of 4-[7-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-ethyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
4-[7-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-ethyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine has a molecular weight of 976.05 g/mol, XLogP of 13.32, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[7-ethyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine is sourced from PubChem (CID 91328060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).