1-[3-[7-(2-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

C22H18F3N5O2 — CID 44548051

IUPAC1-[3-[7-(2-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCOc1ncccc1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1
InChIInChI=1S/C22H18F3N5O2/c1-32-20-17(6-3-8-26-20)14-7-9-30-18(12-27-19(30)11-14)15-4-2-5-16(10-15)29-21(31)28-13-22(23,24)25/h2-12H,13H2,1H3,(H2,28,29,31)
InChIKeyXIRAVAIKBDVKPX-UHFFFAOYSA-N
MW441.41 g/mol
LogP4.76
Rot. Bonds5

About 1-[3-[7-(2-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-[7-(2-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 44548051) has the molecular formula C22H18F3N5O2 and a molecular weight of 441.41 g/mol. Its IUPAC name is 1-[3-[7-(2-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-(2-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID44548051
Molecular FormulaC22H18F3N5O2
Molecular Weight441.41 g/mol
Exact Mass441.14
IUPAC Name1-[3-[7-(2-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCOc1ncccc1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1
InChIInChI=1S/C22H18F3N5O2/c1-32-20-17(6-3-8-26-20)14-7-9-30-18(12-27-19(30)11-14)15-4-2-5-16(10-15)29-21(31)28-13-22(23,24)25/h2-12H,13H2,1H3,(H2,28,29,31)
InChIKeyXIRAVAIKBDVKPX-UHFFFAOYSA-N
XLogP4.76
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(2-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-(2-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 44548051) is 1-[3-[7-(2-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-[7-(2-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-(2-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is COc1ncccc1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1.
What is the InChIKey of 1-[3-[7-(2-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is XIRAVAIKBDVKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2/c1-32-20-17(6-3-8-26-20)14-7-9-30-18(12-27-19(30)11-14)15-4-2-5-16(10-15)29-21(31)28-13-22(23,24)25/h2-12H,13H2,1H3,(H2,28,29,31).
What are the key properties of 1-[3-[7-(2-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[7-(2-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 441.41 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(2-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 44548051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).