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

C27H18F5N5O2 — CID 140861922

IUPAC2-fluoro-N-[7-(4-fluorophenyl)-3-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
SMILESC[C@H](O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(C(F)(F)F)cc3F)c(-c3ccc(F)cc3)ccn12
InChIInChI=1S/C27H18F5N5O2/c1-14(38)22-13-35-25-23(17(7-10-37(22)25)15-3-5-16(28)6-4-15)36-26(39)19-11-18(24-33-8-2-9-34-24)20(12-21(19)29)27(30,31)32/h2-14,38H,1H3,(H,36,39)/t14-/m0/s1
InChIKeyMWQJBCVKLSYRFD-AWEZNQCLSA-N
MW539.46 g/mol
LogP6.06
Rot. Bonds5

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

2-fluoro-N-[7-(4-fluorophenyl)-3-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide (PubChem CID 140861922) has the molecular formula C27H18F5N5O2 and a molecular weight of 539.46 g/mol. Its IUPAC name is 2-fluoro-N-[7-(4-fluorophenyl)-3-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[7-(4-fluorophenyl)-3-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
PubChem CID140861922
Molecular FormulaC27H18F5N5O2
Molecular Weight539.46 g/mol
Exact Mass539.14
IUPAC Name2-fluoro-N-[7-(4-fluorophenyl)-3-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
SMILESC[C@H](O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(C(F)(F)F)cc3F)c(-c3ccc(F)cc3)ccn12
InChIInChI=1S/C27H18F5N5O2/c1-14(38)22-13-35-25-23(17(7-10-37(22)25)15-3-5-16(28)6-4-15)36-26(39)19-11-18(24-33-8-2-9-34-24)20(12-21(19)29)27(30,31)32/h2-14,38H,1H3,(H,36,39)/t14-/m0/s1
InChIKeyMWQJBCVKLSYRFD-AWEZNQCLSA-N
XLogP6.06
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.46
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-N-[7-(4-fluorophenyl)-3-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[8-Azanyl-3-[(3~{r},6~{s})-1-Cyclopropylcarbonyl-6-Methyl-Piperidin-3-Yl]imidazo[1,5-A]pyrazin-1-Yl]-3-Fluoranyl-~{n}-[4-(Trifluoromethyl)pyridin-2-Yl]benzamide
CID 71226367
AP-24226
CID 25210550
DDR1/2 inhibitor 5n
CID 134693894
3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide
CID 24825841
3-(Imidazo[1,2-a]pyridin-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide
CID 24827068
US9718828, Example, 398
CID 71225940
US9718828, Example, 397
CID 71226110
(R)-4-(8-amino-3-(1-(3-methyloxetane-3-carbonyl)piperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl)-3-fluoro-N-(4-(trifluoromethyl)-pyridin-2-yl)benzamide
CID 71226207
US9718828, Example, 486
CID 71226521
US9718828, Example, 395
CID 71226620
US9718828, Example, 480
CID 71226635
US9718828, Example, 575
CID 71226944

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[7-(4-fluorophenyl)-3-[(1S)-1-hydroxyethyl]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-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide (CID 140861922) is 2-fluoro-N-[7-(4-fluorophenyl)-3-[(1S)-1-hydroxyethyl]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-[(1S)-1-hydroxyethyl]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-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide is C[C@H](O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(C(F)(F)F)cc3F)c(-c3ccc(F)cc3)ccn12.
What is the InChIKey of 2-fluoro-N-[7-(4-fluorophenyl)-3-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The InChIKey is MWQJBCVKLSYRFD-AWEZNQCLSA-N. The full InChI is InChI=1S/C27H18F5N5O2/c1-14(38)22-13-35-25-23(17(7-10-37(22)25)15-3-5-16(28)6-4-15)36-26(39)19-11-18(24-33-8-2-9-34-24)20(12-21(19)29)27(30,31)32/h2-14,38H,1H3,(H,36,39)/t14-/m0/s1.
What are the key properties of 2-fluoro-N-[7-(4-fluorophenyl)-3-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
2-fluoro-N-[7-(4-fluorophenyl)-3-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide has a molecular weight of 539.46 g/mol, XLogP of 6.06, 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-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 140861922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).