1-(4-fluorophenyl)-N-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-pyridinyl]-2-oxopyridine-3-carboxamide

C28H20FN7O3 — CID 118197770

IUPAC1-(4-fluorophenyl)-N-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-pyridinyl]-2-oxopyridine-3-carboxamide
SMILESCn1cc(-c2cc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cn3)c3ccnn3c2)cn1
InChIInChI=1S/C28H20FN7O3/c1-34-16-19(14-32-34)18-13-25(24-10-11-31-36(24)17-18)39-26-9-6-21(15-30-26)33-27(37)23-3-2-12-35(28(23)38)22-7-4-20(29)5-8-22/h2-17H,1H3,(H,33,37)
InChIKeyZOCJHMNIGZQWMT-UHFFFAOYSA-N
MW521.51 g/mol
LogP4.46
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-pyridinyl]-2-oxopyridine-3-carboxamide

1-(4-fluorophenyl)-N-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-pyridinyl]-2-oxopyridine-3-carboxamide (PubChem CID 118197770) has the molecular formula C28H20FN7O3 and a molecular weight of 521.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-pyridinyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-pyridinyl]-2-oxopyridine-3-carboxamide
PubChem CID118197770
Molecular FormulaC28H20FN7O3
Molecular Weight521.51 g/mol
Exact Mass521.16
IUPAC Name1-(4-fluorophenyl)-N-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-pyridinyl]-2-oxopyridine-3-carboxamide
SMILESCn1cc(-c2cc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cn3)c3ccnn3c2)cn1
InChIInChI=1S/C28H20FN7O3/c1-34-16-19(14-32-34)18-13-25(24-10-11-31-36(24)17-18)39-26-9-6-21(15-30-26)33-27(37)23-3-2-12-35(28(23)38)22-7-4-20(29)5-8-22/h2-17H,1H3,(H,33,37)
InChIKeyZOCJHMNIGZQWMT-UHFFFAOYSA-N
XLogP4.46
TPSA108.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-pyridinyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-pyridinyl]-2-oxopyridine-3-carboxamide (CID 118197770) is 1-(4-fluorophenyl)-N-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-pyridinyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-pyridinyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-pyridinyl]-2-oxopyridine-3-carboxamide is Cn1cc(-c2cc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cn3)c3ccnn3c2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-pyridinyl]-2-oxopyridine-3-carboxamide?
The InChIKey is ZOCJHMNIGZQWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FN7O3/c1-34-16-19(14-32-34)18-13-25(24-10-11-31-36(24)17-18)39-26-9-6-21(15-30-26)33-27(37)23-3-2-12-35(28(23)38)22-7-4-20(29)5-8-22/h2-17H,1H3,(H,33,37).
What are the key properties of 1-(4-fluorophenyl)-N-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-pyridinyl]-2-oxopyridine-3-carboxamide?
1-(4-fluorophenyl)-N-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-pyridinyl]-2-oxopyridine-3-carboxamide has a molecular weight of 521.51 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-pyridinyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 118197770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).