2-chloro-4-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrido[3,2-d]pyrimidine

C20H15ClF3N5O — CID 177004686

IUPAC2-chloro-4-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrido[3,2-d]pyrimidine
SMILESCC(Oc1nc(Cl)nc2cccnc12)c1ccc(-c2nc(C(F)(F)F)cn2C)cc1
InChIInChI=1S/C20H15ClF3N5O/c1-11(30-18-16-14(4-3-9-25-16)26-19(21)28-18)12-5-7-13(8-6-12)17-27-15(10-29(17)2)20(22,23)24/h3-11H,1-2H3
InChIKeyLIVSSWGVMDYJAD-UHFFFAOYSA-N
MW433.82 g/mol
LogP5.24
Rot. Bonds4

About 2-chloro-4-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrido[3,2-d]pyrimidine

2-chloro-4-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrido[3,2-d]pyrimidine (PubChem CID 177004686) has the molecular formula C20H15ClF3N5O and a molecular weight of 433.82 g/mol. Its IUPAC name is 2-chloro-4-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrido[3,2-d]pyrimidine
PubChem CID177004686
Molecular FormulaC20H15ClF3N5O
Molecular Weight433.82 g/mol
Exact Mass433.09
IUPAC Name2-chloro-4-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrido[3,2-d]pyrimidine
SMILESCC(Oc1nc(Cl)nc2cccnc12)c1ccc(-c2nc(C(F)(F)F)cn2C)cc1
InChIInChI=1S/C20H15ClF3N5O/c1-11(30-18-16-14(4-3-9-25-16)26-19(21)28-18)12-5-7-13(8-6-12)17-27-15(10-29(17)2)20(22,23)24/h3-11H,1-2H3
InChIKeyLIVSSWGVMDYJAD-UHFFFAOYSA-N
XLogP5.24
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.82
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 177004734
CID 177004734
5-chloro-2-methyl-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrazolo[4,3-d]pyrimidine
CID 172584138
2,5-dichloro-4-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
CID 172585766
2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol
CID 172585714
2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidine;ethane
CID 177004677
2-chloro-5-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
CID 172585932
2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-(trifluoromethyl)pyrimidine
CID 172585539
2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine
CID 71319129
2-methyl-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine
CID 176669250
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrimidine
CID 172586088
9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yloxy-3-pyridinyl)-7H-purin-8-one
CID 129139820
9-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-yl-3-pyridinyl)-7H-purin-8-one
CID 129139843

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrido[3,2-d]pyrimidine?
The IUPAC name of 2-chloro-4-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrido[3,2-d]pyrimidine (CID 177004686) is 2-chloro-4-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrido[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrido[3,2-d]pyrimidine?
The canonical SMILES for 2-chloro-4-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrido[3,2-d]pyrimidine is CC(Oc1nc(Cl)nc2cccnc12)c1ccc(-c2nc(C(F)(F)F)cn2C)cc1.
What is the InChIKey of 2-chloro-4-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrido[3,2-d]pyrimidine?
The InChIKey is LIVSSWGVMDYJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N5O/c1-11(30-18-16-14(4-3-9-25-16)26-19(21)28-18)12-5-7-13(8-6-12)17-27-15(10-29(17)2)20(22,23)24/h3-11H,1-2H3.
What are the key properties of 2-chloro-4-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrido[3,2-d]pyrimidine?
2-chloro-4-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrido[3,2-d]pyrimidine has a molecular weight of 433.82 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrido[3,2-d]pyrimidine is sourced from PubChem (CID 177004686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).