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

C26H18F4N6O2 — CID 122609212

IUPAC8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ccn4c(C(N)=O)cnc34)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C26H18F4N6O2/c1-35-9-8-20(34-35)16-11-17(19(27)12-18(16)26(28,29)30)25(38)33-22-15(14-5-3-2-4-6-14)7-10-36-21(23(31)37)13-32-24(22)36/h2-13H,1H3,(H2,31,37)(H,33,38)
InChIKeyHWGNQLMXQLQQPB-UHFFFAOYSA-N
MW522.46 g/mol
LogP4.91
Rot. Bonds5

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

8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 122609212) has the molecular formula C26H18F4N6O2 and a molecular weight of 522.46 g/mol. Its IUPAC name is 8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122609212
Molecular FormulaC26H18F4N6O2
Molecular Weight522.46 g/mol
Exact Mass522.14
IUPAC Name8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ccn4c(C(N)=O)cnc34)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C26H18F4N6O2/c1-35-9-8-20(34-35)16-11-17(19(27)12-18(16)26(28,29)30)25(38)33-22-15(14-5-3-2-4-6-14)7-10-36-21(23(31)37)13-32-24(22)36/h2-13H,1H3,(H2,31,37)(H,33,38)
InChIKeyHWGNQLMXQLQQPB-UHFFFAOYSA-N
XLogP4.91
TPSA107.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.46
LogP ≤ 54.91
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-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide (CID 122609212) is 8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide is Cn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ccn4c(C(N)=O)cnc34)c(F)cc2C(F)(F)F)n1.
What is the InChIKey of 8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is HWGNQLMXQLQQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F4N6O2/c1-35-9-8-20(34-35)16-11-17(19(27)12-18(16)26(28,29)30)25(38)33-22-15(14-5-3-2-4-6-14)7-10-36-21(23(31)37)13-32-24(22)36/h2-13H,1H3,(H2,31,37)(H,33,38).
What are the key properties of 8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide?
8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 522.46 g/mol, XLogP of 4.91, 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-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 122609212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).