2-fluoro-N-[7-(4-fluorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide

C26H16F5N5O2 — CID 122604063

IUPAC2-fluoro-N-[7-(4-fluorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)ccn2c(CO)cnc12)c1cc(-c2ncccn2)c(C(F)(F)F)cc1F
InChIInChI=1S/C26H16F5N5O2/c27-15-4-2-14(3-5-15)17-6-9-36-16(13-37)12-34-24(36)22(17)35-25(38)19-10-18(23-32-7-1-8-33-23)20(11-21(19)28)26(29,30)31/h1-12,37H,13H2,(H,35,38)
InChIKeyFPVCTRBEYNTTPX-UHFFFAOYSA-N
MW525.44 g/mol
LogP5.50
Rot. Bonds5

About 2-fluoro-N-[7-(4-fluorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide

2-fluoro-N-[7-(4-fluorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide (PubChem CID 122604063) has the molecular formula C26H16F5N5O2 and a molecular weight of 525.44 g/mol. Its IUPAC name is 2-fluoro-N-[7-(4-fluorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[7-(4-fluorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
PubChem CID122604063
Molecular FormulaC26H16F5N5O2
Molecular Weight525.44 g/mol
Exact Mass525.12
IUPAC Name2-fluoro-N-[7-(4-fluorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)ccn2c(CO)cnc12)c1cc(-c2ncccn2)c(C(F)(F)F)cc1F
InChIInChI=1S/C26H16F5N5O2/c27-15-4-2-14(3-5-15)17-6-9-36-16(13-37)12-34-24(36)22(17)35-25(38)19-10-18(23-32-7-1-8-33-23)20(11-21(19)28)26(29,30)31/h1-12,37H,13H2,(H,35,38)
InChIKeyFPVCTRBEYNTTPX-UHFFFAOYSA-N
XLogP5.50
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.44
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[7-(4-fluorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[7-(4-fluorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide (CID 122604063) is 2-fluoro-N-[7-(4-fluorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[7-(4-fluorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[7-(4-fluorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide is O=C(Nc1c(-c2ccc(F)cc2)ccn2c(CO)cnc12)c1cc(-c2ncccn2)c(C(F)(F)F)cc1F.
What is the InChIKey of 2-fluoro-N-[7-(4-fluorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The InChIKey is FPVCTRBEYNTTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F5N5O2/c27-15-4-2-14(3-5-15)17-6-9-36-16(13-37)12-34-24(36)22(17)35-25(38)19-10-18(23-32-7-1-8-33-23)20(11-21(19)28)26(29,30)31/h1-12,37H,13H2,(H,35,38).
What are the key properties of 2-fluoro-N-[7-(4-fluorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
2-fluoro-N-[7-(4-fluorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide has a molecular weight of 525.44 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[7-(4-fluorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 122604063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).