N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine

C19H13ClF3N5O — CID 74767343

IUPACN-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1Cl
InChIInChI=1S/C19H13ClF3N5O/c1-29-13-6-5-11(10-12(13)20)25-14-7-8-24-18(26-14)16-17(19(21,22)23)27-15-4-2-3-9-28(15)16/h2-10H,1H3,(H,24,25,26)
InChIKeyQVVDQKAXRBUFFB-UHFFFAOYSA-N
MW419.79 g/mol
LogP5.22
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine

N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (PubChem CID 74767343) has the molecular formula C19H13ClF3N5O and a molecular weight of 419.79 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
PubChem CID74767343
Molecular FormulaC19H13ClF3N5O
Molecular Weight419.79 g/mol
Exact Mass419.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1Cl
InChIInChI=1S/C19H13ClF3N5O/c1-29-13-6-5-11(10-12(13)20)25-14-7-8-24-18(26-14)16-17(19(21,22)23)27-15-4-2-3-9-28(15)16/h2-10H,1H3,(H,24,25,26)
InChIKeyQVVDQKAXRBUFFB-UHFFFAOYSA-N
XLogP5.22
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.79
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 122578342
2-N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,5-diamine
CID 118101444
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
N-(4-bromophenyl)-2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 90178022
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
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-phenylpyrimidin-4-amine
CID 90177990
N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
CID 91799361
N-(3-chloro-4-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078359
2-N-(4-tert-butylphenyl)-4-N-(3-chloro-4-methoxyphenyl)pyrimidine-2,4-diamine
CID 112903407
4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 68776460
N-(3-chloro-4-methoxyphenyl)-4-(2-propylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
CID 57490461
4-N-(3-chloro-4-methoxyphenyl)quinoline-3,4-diamine
CID 103962773

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (CID 74767343) is N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is COc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The InChIKey is QVVDQKAXRBUFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N5O/c1-29-13-6-5-11(10-12(13)20)25-14-7-8-24-18(26-14)16-17(19(21,22)23)27-15-4-2-3-9-28(15)16/h2-10H,1H3,(H,24,25,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine has a molecular weight of 419.79 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 74767343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).