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

C20H14F5N5O2 — CID 74767423

IUPACN-[4-(difluoromethoxy)phenyl]-2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
SMILESCOc1ccc2nc(C(F)(F)F)c(-c3nccc(Nc4ccc(OC(F)F)cc4)n3)n2c1
InChIInChI=1S/C20H14F5N5O2/c1-31-13-6-7-15-29-17(20(23,24)25)16(30(15)10-13)18-26-9-8-14(28-18)27-11-2-4-12(5-3-11)32-19(21)22/h2-10,19H,1H3,(H,26,27,28)
InChIKeyOVWHSMWPDQTIEU-UHFFFAOYSA-N
MW451.36 g/mol
LogP5.16
Rot. Bonds6

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

N-[4-(difluoromethoxy)phenyl]-2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (PubChem CID 74767423) has the molecular formula C20H14F5N5O2 and a molecular weight of 451.36 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
PubChem CID74767423
Molecular FormulaC20H14F5N5O2
Molecular Weight451.36 g/mol
Exact Mass451.11
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
SMILESCOc1ccc2nc(C(F)(F)F)c(-c3nccc(Nc4ccc(OC(F)F)cc4)n3)n2c1
InChIInChI=1S/C20H14F5N5O2/c1-31-13-6-7-15-29-17(20(23,24)25)16(30(15)10-13)18-26-9-8-14(28-18)27-11-2-4-12(5-3-11)32-19(21)22/h2-10,19H,1H3,(H,26,27,28)
InChIKeyOVWHSMWPDQTIEU-UHFFFAOYSA-N
XLogP5.16
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (CID 74767423) is N-[4-(difluoromethoxy)phenyl]-2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is COc1ccc2nc(C(F)(F)F)c(-c3nccc(Nc4ccc(OC(F)F)cc4)n3)n2c1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The InChIKey is OVWHSMWPDQTIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F5N5O2/c1-31-13-6-7-15-29-17(20(23,24)25)16(30(15)10-13)18-26-9-8-14(28-18)27-11-2-4-12(5-3-11)32-19(21)22/h2-10,19H,1H3,(H,26,27,28).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
N-[4-(difluoromethoxy)phenyl]-2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine has a molecular weight of 451.36 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 74767423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).