4-[8-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol

C81H66F9N19O — CID 158549751

IUPAC4-[8-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol
SMILESC[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3c(CN)cccn23)n1)c1ccccc1.C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3c(CN=[N+]=[N-])cccn23)n1)c1ccccc1.C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3c(CO)cccn23)n1)c1ccccc1
InChIInChI=1S/C27H21F3N8.C27H23F3N6.C27H22F3N5O/c1-17(18-7-3-2-4-8-18)34-26-32-13-12-22(35-26)24-23(19-9-5-11-21(15-19)27(28,29)30)36-25-20(16-33-37-31)10-6-14-38(24)25;1-17(18-7-3-2-4-8-18)33-26-32-13-12-22(34-26)24-23(19-9-5-11-21(15-19)27(28,29)30)35-25-20(16-31)10-6-14-36(24)25;1-17(18-7-3-2-4-8-18)32-26-31-13-12-22(33-26)24-23(19-9-5-11-21(15-19)27(28,29)30)34-25-20(16-36)10-6-14-35(24)25/h2-15,17H,16H2,1H3,(H,32,34,35);2-15,17H,16,31H2,1H3,(H,32,33,34);2-15,17,36H,16H2,1H3,(H,31,32,33)/t3*17-/m000/s1
InChIKeyHPOKOTHVPFTPGR-HTFNGVARSA-N
MW1492.53 g/mol
LogP19.71
Rot. Bonds19

About 4-[8-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol

4-[8-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol (PubChem CID 158549751) has the molecular formula C81H66F9N19O and a molecular weight of 1492.53 g/mol. Its IUPAC name is 4-[8-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol.

Molecular Properties

Compound Name4-[8-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol
PubChem CID158549751
Molecular FormulaC81H66F9N19O
Molecular Weight1492.53 g/mol
Exact Mass1491.56
IUPAC Name4-[8-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol
SMILESC[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3c(CN)cccn23)n1)c1ccccc1.C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3c(CN=[N+]=[N-])cccn23)n1)c1ccccc1.C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3c(CO)cccn23)n1)c1ccccc1
InChIInChI=1S/C27H21F3N8.C27H23F3N6.C27H22F3N5O/c1-17(18-7-3-2-4-8-18)34-26-32-13-12-22(35-26)24-23(19-9-5-11-21(15-19)27(28,29)30)36-25-20(16-33-37-31)10-6-14-38(24)25;1-17(18-7-3-2-4-8-18)33-26-32-13-12-22(34-26)24-23(19-9-5-11-21(15-19)27(28,29)30)35-25-20(16-31)10-6-14-36(24)25;1-17(18-7-3-2-4-8-18)32-26-31-13-12-22(33-26)24-23(19-9-5-11-21(15-19)27(28,29)30)34-25-20(16-36)10-6-14-35(24)25/h2-15,17H,16H2,1H3,(H,32,34,35);2-15,17H,16,31H2,1H3,(H,32,33,34);2-15,17,36H,16H2,1H3,(H,31,32,33)/t3*17-/m000/s1
InChIKeyHPOKOTHVPFTPGR-HTFNGVARSA-N
XLogP19.71
TPSA260.34 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001492.53
LogP ≤ 519.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-[8-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol 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

[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 169074463
US11420970, Example 215
CID 156073464
[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 10274916
[2-(4-fluorophenyl)-3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824380
[3-[2-[2-(Dimethylamino)ethylamino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824427
[3-[2-(3-Ethoxypropylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824434
[2-(4-Fluorophenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824468
[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824489
[2-(4-Fluorophenyl)-3-[2-(1-phenylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824515
[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methanol
CID 58824553
[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol
CID 58824559
[2-(4-fluorophenyl)-3-[2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824561

Frequently Asked Questions

What is the IUPAC name of 4-[8-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol?
The IUPAC name of 4-[8-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol (CID 158549751) is 4-[8-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol.
What is the SMILES notation for 4-[8-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol?
The canonical SMILES for 4-[8-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol is C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3c(CN)cccn23)n1)c1ccccc1.C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3c(CN=[N+]=[N-])cccn23)n1)c1ccccc1.C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3c(CO)cccn23)n1)c1ccccc1.
What is the InChIKey of 4-[8-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol?
The InChIKey is HPOKOTHVPFTPGR-HTFNGVARSA-N. The full InChI is InChI=1S/C27H21F3N8.C27H23F3N6.C27H22F3N5O/c1-17(18-7-3-2-4-8-18)34-26-32-13-12-22(35-26)24-23(19-9-5-11-21(15-19)27(28,29)30)36-25-20(16-33-37-31)10-6-14-38(24)25;1-17(18-7-3-2-4-8-18)33-26-32-13-12-22(34-26)24-23(19-9-5-11-21(15-19)27(28,29)30)35-25-20(16-31)10-6-14-36(24)25;1-17(18-7-3-2-4-8-18)32-26-31-13-12-22(33-26)24-23(19-9-5-11-21(15-19)27(28,29)30)34-25-20(16-36)10-6-14-35(24)25/h2-15,17H,16H2,1H3,(H,32,34,35);2-15,17H,16,31H2,1H3,(H,32,33,34);2-15,17,36H,16H2,1H3,(H,31,32,33)/t3*17-/m000/s1.
What are the key properties of 4-[8-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol?
4-[8-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol has a molecular weight of 1492.53 g/mol, XLogP of 19.71, 19 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol is sourced from PubChem (CID 158549751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).