3-[1-(3-chloro-4-methylphenyl)-2H-pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine

C39H30ClF6N9O — CID 90178116

IUPAC3-[1-(3-chloro-4-methylphenyl)-2H-pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
SMILESCCOc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1.Cc1ccc(N2C=CC=NC2c2c(C(F)(F)F)nc3ccccn23)cc1Cl
InChIInChI=1S/C20H16F3N5O.C19H14ClF3N4/c1-2-29-14-8-6-13(7-9-14)25-15-10-11-24-19(26-15)17-18(20(21,22)23)27-16-5-3-4-12-28(16)17;1-12-6-7-13(11-14(12)20)26-10-4-8-24-18(26)16-17(19(21,22)23)25-15-5-2-3-9-27(15)16/h3-12H,2H2,1H3,(H,24,25,26);2-11,18H,1H3
InChIKeyQQOLZFCVMKYULU-UHFFFAOYSA-N
MW790.17 g/mol
LogP10.37
Rot. Bonds7

About 3-[1-(3-chloro-4-methylphenyl)-2H-pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine

3-[1-(3-chloro-4-methylphenyl)-2H-pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (PubChem CID 90178116) has the molecular formula C39H30ClF6N9O and a molecular weight of 790.17 g/mol. Its IUPAC name is 3-[1-(3-chloro-4-methylphenyl)-2H-pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name3-[1-(3-chloro-4-methylphenyl)-2H-pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
PubChem CID90178116
Molecular FormulaC39H30ClF6N9O
Molecular Weight790.17 g/mol
Exact Mass789.22
IUPAC Name3-[1-(3-chloro-4-methylphenyl)-2H-pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
SMILESCCOc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1.Cc1ccc(N2C=CC=NC2c2c(C(F)(F)F)nc3ccccn23)cc1Cl
InChIInChI=1S/C20H16F3N5O.C19H14ClF3N4/c1-2-29-14-8-6-13(7-9-14)25-15-10-11-24-19(26-15)17-18(20(21,22)23)27-16-5-3-4-12-28(16)17;1-12-6-7-13(11-14(12)20)26-10-4-8-24-18(26)16-17(19(21,22)23)25-15-5-2-3-9-27(15)16/h3-12H,2H2,1H3,(H,24,25,26);2-11,18H,1H3
InChIKeyQQOLZFCVMKYULU-UHFFFAOYSA-N
XLogP10.37
TPSA97.24 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.17
LogP ≤ 510.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[1-(3-chloro-4-methylphenyl)-2H-pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine with MolForge

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 74767343
N-(4-bromophenyl)-2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 90178022
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-phenylpyrimidin-4-amine
CID 90177990
2-N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,5-diamine
CID 118101444
2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine;2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 162144012
N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 118101462
N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
CID 91799361
N-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317293
N-(4-ethoxyphenyl)-4-(2-propylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
CID 57490462
N-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine;hydrochloride
CID 2790115
4-N-(4-ethoxyphenyl)-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 112903465
N-(2-aminophenyl)-4-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide
CID 44611377

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chloro-4-methylphenyl)-2H-pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The IUPAC name of 3-[1-(3-chloro-4-methylphenyl)-2H-pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (CID 90178116) is 3-[1-(3-chloro-4-methylphenyl)-2H-pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 3-[1-(3-chloro-4-methylphenyl)-2H-pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 3-[1-(3-chloro-4-methylphenyl)-2H-pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is CCOc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1.Cc1ccc(N2C=CC=NC2c2c(C(F)(F)F)nc3ccccn23)cc1Cl.
What is the InChIKey of 3-[1-(3-chloro-4-methylphenyl)-2H-pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The InChIKey is QQOLZFCVMKYULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O.C19H14ClF3N4/c1-2-29-14-8-6-13(7-9-14)25-15-10-11-24-19(26-15)17-18(20(21,22)23)27-16-5-3-4-12-28(16)17;1-12-6-7-13(11-14(12)20)26-10-4-8-24-18(26)16-17(19(21,22)23)25-15-5-2-3-9-27(15)16/h3-12H,2H2,1H3,(H,24,25,26);2-11,18H,1H3.
What are the key properties of 3-[1-(3-chloro-4-methylphenyl)-2H-pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
3-[1-(3-chloro-4-methylphenyl)-2H-pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine has a molecular weight of 790.17 g/mol, XLogP of 10.37, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chloro-4-methylphenyl)-2H-pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 90178116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).