1-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide

C30H19F2N5O3 — CID 91810848

IUPAC1-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(-c3cccnc3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H19F2N5O3/c31-21-5-8-23(9-6-21)36-14-2-4-24(30(36)39)29(38)35-22-7-10-27(25(32)16-22)40-28-15-20(19-3-1-12-33-17-19)18-37-26(28)11-13-34-37/h1-18H,(H,35,38)
InChIKeyBUZKAGLBINIARH-UHFFFAOYSA-N
MW535.51 g/mol
LogP5.87
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide

1-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide (PubChem CID 91810848) has the molecular formula C30H19F2N5O3 and a molecular weight of 535.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide
PubChem CID91810848
Molecular FormulaC30H19F2N5O3
Molecular Weight535.51 g/mol
Exact Mass535.15
IUPAC Name1-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(-c3cccnc3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H19F2N5O3/c31-21-5-8-23(9-6-21)36-14-2-4-24(30(36)39)29(38)35-22-7-10-27(25(32)16-22)40-28-15-20(19-3-1-12-33-17-19)18-37-26(28)11-13-34-37/h1-18H,(H,35,38)
InChIKeyBUZKAGLBINIARH-UHFFFAOYSA-N
XLogP5.87
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.51
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide (CID 91810848) is 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide is O=C(Nc1ccc(Oc2cc(-c3cccnc3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is BUZKAGLBINIARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19F2N5O3/c31-21-5-8-23(9-6-21)36-14-2-4-24(30(36)39)29(38)35-22-7-10-27(25(32)16-22)40-28-15-20(19-3-1-12-33-17-19)18-37-26(28)11-13-34-37/h1-18H,(H,35,38).
What are the key properties of 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide?
1-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 535.51 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 91810848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).