8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide

C26H16F4N6O2 — CID 122609178

IUPAC8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(C(F)(F)F)cc3F)c(-c3ccccc3)ccn12
InChIInChI=1S/C26H16F4N6O2/c27-19-12-18(26(28,29)30)16(23-32-8-4-9-33-23)11-17(19)25(38)35-21-15(14-5-2-1-3-6-14)7-10-36-20(22(31)37)13-34-24(21)36/h1-13H,(H2,31,37)(H,35,38)
InChIKeyFVNJWKZAOTYCTP-UHFFFAOYSA-N
MW520.45 g/mol
LogP4.97
Rot. Bonds5

About 8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide

8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 122609178) has the molecular formula C26H16F4N6O2 and a molecular weight of 520.45 g/mol. Its IUPAC name is 8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122609178
Molecular FormulaC26H16F4N6O2
Molecular Weight520.45 g/mol
Exact Mass520.13
IUPAC Name8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(C(F)(F)F)cc3F)c(-c3ccccc3)ccn12
InChIInChI=1S/C26H16F4N6O2/c27-19-12-18(26(28,29)30)16(23-32-8-4-9-33-23)11-17(19)25(38)35-21-15(14-5-2-1-3-6-14)7-10-36-20(22(31)37)13-34-24(21)36/h1-13H,(H2,31,37)(H,35,38)
InChIKeyFVNJWKZAOTYCTP-UHFFFAOYSA-N
XLogP4.97
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.45
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide (CID 122609178) is 8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide is NC(=O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(C(F)(F)F)cc3F)c(-c3ccccc3)ccn12.
What is the InChIKey of 8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FVNJWKZAOTYCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F4N6O2/c27-19-12-18(26(28,29)30)16(23-32-8-4-9-33-23)11-17(19)25(38)35-21-15(14-5-2-1-3-6-14)7-10-36-20(22(31)37)13-34-24(21)36/h1-13H,(H2,31,37)(H,35,38).
What are the key properties of 8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide?
8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 520.45 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 122609178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).