8-ethyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine

C18H15F3N6 — CID 59987532

IUPAC8-ethyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCCc1c(Cn2ccnc2-c2ccccn2)ncn2cc(C(F)(F)F)nc12
InChIInChI=1S/C18H15F3N6/c1-2-12-14(24-11-27-10-15(18(19,20)21)25-16(12)27)9-26-8-7-23-17(26)13-5-3-4-6-22-13/h3-8,10-11H,2,9H2,1H3
InChIKeyDSNHKXZHVKXRPH-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.62
Rot. Bonds4

About 8-ethyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine

8-ethyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine (PubChem CID 59987532) has the molecular formula C18H15F3N6 and a molecular weight of 372.35 g/mol. Its IUPAC name is 8-ethyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name8-ethyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine
PubChem CID59987532
Molecular FormulaC18H15F3N6
Molecular Weight372.35 g/mol
Exact Mass372.13
IUPAC Name8-ethyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCCc1c(Cn2ccnc2-c2ccccn2)ncn2cc(C(F)(F)F)nc12
InChIInChI=1S/C18H15F3N6/c1-2-12-14(24-11-27-10-15(18(19,20)21)25-16(12)27)9-26-8-7-23-17(26)13-5-3-4-6-22-13/h3-8,10-11H,2,9H2,1H3
InChIKeyDSNHKXZHVKXRPH-UHFFFAOYSA-N
XLogP3.62
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Glu-P 2
CID 49970
Glu-P 1
CID 49971
Savolitinib
CID 68289010
Adipiplon
CID 11198924
Pf-05180999
CID 60143346
Dipraglurant
CID 44557636
Fazadinium Bromide
CID 6321422
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 8-ethyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine (CID 59987532) is 8-ethyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 8-ethyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 8-ethyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine is CCc1c(Cn2ccnc2-c2ccccn2)ncn2cc(C(F)(F)F)nc12.
What is the InChIKey of 8-ethyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The InChIKey is DSNHKXZHVKXRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6/c1-2-12-14(24-11-27-10-15(18(19,20)21)25-16(12)27)9-26-8-7-23-17(26)13-5-3-4-6-22-13/h3-8,10-11H,2,9H2,1H3.
What are the key properties of 8-ethyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
8-ethyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine has a molecular weight of 372.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 59987532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).