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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Related Compounds

CID 24826799
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CID 91933883
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CID 46908927
CID 46908927
CID 3113005
CID 3113005
CID 24826880
CID 24826880
CID 51033482
CID 51033482
CID 51034710
CID 51034710
CID 57377741
CID 57377741
CID 71550931
CID 71550931
CID 153572417
CID 153572417
CID 23646189
CID 23646189
CID 23646190
CID 23646190

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).