2-fluoro-N-[3-[(1S)-1-hydroxyethyl]-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide

C28H20F4N4O2 — CID 140861926

IUPAC2-fluoro-N-[3-[(1S)-1-hydroxyethyl]-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide
SMILESC[C@H](O)c1cnc2c(NC(=O)c3cc(-c4ccccn4)c(C(F)(F)F)cc3F)c(-c3ccccc3)ccn12
InChIInChI=1S/C28H20F4N4O2/c1-16(37)24-15-34-26-25(18(10-12-36(24)26)17-7-3-2-4-8-17)35-27(38)20-13-19(23-9-5-6-11-33-23)21(14-22(20)29)28(30,31)32/h2-16,37H,1H3,(H,35,38)/t16-/m0/s1
InChIKeyCUZRSBAVNCQYBU-INIZCTEOSA-N
MW520.49 g/mol
LogP6.53
Rot. Bonds5

About 2-fluoro-N-[3-[(1S)-1-hydroxyethyl]-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide

2-fluoro-N-[3-[(1S)-1-hydroxyethyl]-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide (PubChem CID 140861926) has the molecular formula C28H20F4N4O2 and a molecular weight of 520.49 g/mol. Its IUPAC name is 2-fluoro-N-[3-[(1S)-1-hydroxyethyl]-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[(1S)-1-hydroxyethyl]-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide
PubChem CID140861926
Molecular FormulaC28H20F4N4O2
Molecular Weight520.49 g/mol
Exact Mass520.15
IUPAC Name2-fluoro-N-[3-[(1S)-1-hydroxyethyl]-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide
SMILESC[C@H](O)c1cnc2c(NC(=O)c3cc(-c4ccccn4)c(C(F)(F)F)cc3F)c(-c3ccccc3)ccn12
InChIInChI=1S/C28H20F4N4O2/c1-16(37)24-15-34-26-25(18(10-12-36(24)26)17-7-3-2-4-8-17)35-27(38)20-13-19(23-9-5-6-11-33-23)21(14-22(20)29)28(30,31)32/h2-16,37H,1H3,(H,35,38)/t16-/m0/s1
InChIKeyCUZRSBAVNCQYBU-INIZCTEOSA-N
XLogP6.53
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.49
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[(1S)-1-hydroxyethyl]-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[3-[(1S)-1-hydroxyethyl]-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide (CID 140861926) is 2-fluoro-N-[3-[(1S)-1-hydroxyethyl]-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[(1S)-1-hydroxyethyl]-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[3-[(1S)-1-hydroxyethyl]-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide is C[C@H](O)c1cnc2c(NC(=O)c3cc(-c4ccccn4)c(C(F)(F)F)cc3F)c(-c3ccccc3)ccn12.
What is the InChIKey of 2-fluoro-N-[3-[(1S)-1-hydroxyethyl]-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide?
The InChIKey is CUZRSBAVNCQYBU-INIZCTEOSA-N. The full InChI is InChI=1S/C28H20F4N4O2/c1-16(37)24-15-34-26-25(18(10-12-36(24)26)17-7-3-2-4-8-17)35-27(38)20-13-19(23-9-5-6-11-33-23)21(14-22(20)29)28(30,31)32/h2-16,37H,1H3,(H,35,38)/t16-/m0/s1.
What are the key properties of 2-fluoro-N-[3-[(1S)-1-hydroxyethyl]-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide?
2-fluoro-N-[3-[(1S)-1-hydroxyethyl]-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide has a molecular weight of 520.49 g/mol, XLogP of 6.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[(1S)-1-hydroxyethyl]-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 140861926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).