2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C19H10ClF6N5O — CID 74767185

IUPAC2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccc(Cl)cn34)n2)cc1
InChIInChI=1S/C19H10ClF6N5O/c20-10-1-6-14-30-16(18(21,22)23)15(31(14)9-10)17-27-8-7-13(29-17)28-11-2-4-12(5-3-11)32-19(24,25)26/h1-9H,(H,27,28,29)
InChIKeyLCZQVVFCWNPZPC-UHFFFAOYSA-N
MW473.76 g/mol
LogP6.11
Rot. Bonds4

About 2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 74767185) has the molecular formula C19H10ClF6N5O and a molecular weight of 473.76 g/mol. Its IUPAC name is 2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID74767185
Molecular FormulaC19H10ClF6N5O
Molecular Weight473.76 g/mol
Exact Mass473.05
IUPAC Name2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccc(Cl)cn34)n2)cc1
InChIInChI=1S/C19H10ClF6N5O/c20-10-1-6-14-30-16(18(21,22)23)15(31(14)9-10)17-27-8-7-13(29-17)28-11-2-4-12(5-3-11)32-19(24,25)26/h1-9H,(H,27,28,29)
InChIKeyLCZQVVFCWNPZPC-UHFFFAOYSA-N
XLogP6.11
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.76
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 74767185) is 2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is FC(F)(F)Oc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccc(Cl)cn34)n2)cc1.
What is the InChIKey of 2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is LCZQVVFCWNPZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF6N5O/c20-10-1-6-14-30-16(18(21,22)23)15(31(14)9-10)17-27-8-7-13(29-17)28-11-2-4-12(5-3-11)32-19(24,25)26/h1-9H,(H,27,28,29).
What are the key properties of 2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 473.76 g/mol, XLogP of 6.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 74767185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).