1-[5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea

C18H14F3N7O2 — CID 59320979

IUPAC1-[5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1nnc(-c2ccn3c(-c4cncc(NC(=O)NCC(F)(F)F)c4)cnc3c2)o1
InChIInChI=1S/C18H14F3N7O2/c1-10-26-27-16(30-10)11-2-3-28-14(8-23-15(28)5-11)12-4-13(7-22-6-12)25-17(29)24-9-18(19,20)21/h2-8H,9H2,1H3,(H2,24,25,29)
InChIKeyBUFWIPONZIXMEG-UHFFFAOYSA-N
MW417.35 g/mol
LogP3.44
Rot. Bonds4

About 1-[5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea

1-[5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 59320979) has the molecular formula C18H14F3N7O2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 1-[5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID59320979
Molecular FormulaC18H14F3N7O2
Molecular Weight417.35 g/mol
Exact Mass417.12
IUPAC Name1-[5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1nnc(-c2ccn3c(-c4cncc(NC(=O)NCC(F)(F)F)c4)cnc3c2)o1
InChIInChI=1S/C18H14F3N7O2/c1-10-26-27-16(30-10)11-2-3-28-14(8-23-15(28)5-11)12-4-13(7-22-6-12)25-17(29)24-9-18(19,20)21/h2-8H,9H2,1H3,(H2,24,25,29)
InChIKeyBUFWIPONZIXMEG-UHFFFAOYSA-N
XLogP3.44
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea (CID 59320979) is 1-[5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea is Cc1nnc(-c2ccn3c(-c4cncc(NC(=O)NCC(F)(F)F)c4)cnc3c2)o1.
What is the InChIKey of 1-[5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is BUFWIPONZIXMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N7O2/c1-10-26-27-16(30-10)11-2-3-28-14(8-23-15(28)5-11)12-4-13(7-22-6-12)25-17(29)24-9-18(19,20)21/h2-8H,9H2,1H3,(H2,24,25,29).
What are the key properties of 1-[5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea?
1-[5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 417.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 59320979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).