1-[3-[7-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

C21H15F4N5O — CID 44547308

IUPAC1-[3-[7-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(F)cn4)ccn23)c1
InChIInChI=1S/C21H15F4N5O/c22-15-4-5-17(26-10-15)13-6-7-30-18(11-27-19(30)9-13)14-2-1-3-16(8-14)29-20(31)28-12-21(23,24)25/h1-11H,12H2,(H2,28,29,31)
InChIKeyDCZBPNBODJYQFH-UHFFFAOYSA-N
MW429.38 g/mol
LogP4.89
Rot. Bonds4

About 1-[3-[7-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-[7-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 44547308) has the molecular formula C21H15F4N5O and a molecular weight of 429.38 g/mol. Its IUPAC name is 1-[3-[7-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID44547308
Molecular FormulaC21H15F4N5O
Molecular Weight429.38 g/mol
Exact Mass429.12
IUPAC Name1-[3-[7-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(F)cn4)ccn23)c1
InChIInChI=1S/C21H15F4N5O/c22-15-4-5-17(26-10-15)13-6-7-30-18(11-27-19(30)9-13)14-2-1-3-16(8-14)29-20(31)28-12-21(23,24)25/h1-11H,12H2,(H2,28,29,31)
InChIKeyDCZBPNBODJYQFH-UHFFFAOYSA-N
XLogP4.89
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.38
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 44547308) is 1-[3-[7-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-[7-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(F)cn4)ccn23)c1.
What is the InChIKey of 1-[3-[7-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is DCZBPNBODJYQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N5O/c22-15-4-5-17(26-10-15)13-6-7-30-18(11-27-19(30)9-13)14-2-1-3-16(8-14)29-20(31)28-12-21(23,24)25/h1-11H,12H2,(H2,28,29,31).
What are the key properties of 1-[3-[7-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[7-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 429.38 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 44547308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).