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

C19H11ClF5N5O — CID 74767186

IUPAC2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(difluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)Oc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccc(Cl)cn34)n2)cc1
InChIInChI=1S/C19H11ClF5N5O/c20-10-1-6-14-29-16(19(23,24)25)15(30(14)9-10)17-26-8-7-13(28-17)27-11-2-4-12(5-3-11)31-18(21)22/h1-9,18H,(H,26,27,28)
InChIKeySSESMQZHKWCEAE-UHFFFAOYSA-N
MW455.77 g/mol
LogP5.81
Rot. Bonds5

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

2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(difluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 74767186) has the molecular formula C19H11ClF5N5O and a molecular weight of 455.77 g/mol. Its IUPAC name is 2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(difluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(difluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID74767186
Molecular FormulaC19H11ClF5N5O
Molecular Weight455.77 g/mol
Exact Mass455.06
IUPAC Name2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(difluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)Oc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccc(Cl)cn34)n2)cc1
InChIInChI=1S/C19H11ClF5N5O/c20-10-1-6-14-29-16(19(23,24)25)15(30(14)9-10)17-26-8-7-13(28-17)27-11-2-4-12(5-3-11)31-18(21)22/h1-9,18H,(H,26,27,28)
InChIKeySSESMQZHKWCEAE-UHFFFAOYSA-N
XLogP5.81
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.77
LogP ≤ 55.81
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-(difluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(difluoromethoxy)phenyl]pyrimidin-4-amine (CID 74767186) is 2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(difluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(difluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(difluoromethoxy)phenyl]pyrimidin-4-amine is FC(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-(difluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is SSESMQZHKWCEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF5N5O/c20-10-1-6-14-29-16(19(23,24)25)15(30(14)9-10)17-26-8-7-13(28-17)27-11-2-4-12(5-3-11)31-18(21)22/h1-9,18H,(H,26,27,28).
What are the key properties of 2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(difluoromethoxy)phenyl]pyrimidin-4-amine?
2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(difluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 455.77 g/mol, XLogP of 5.81, 5 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-(difluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 74767186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).