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

C30H24F2N4O4 — CID 118197841

IUPACN-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(C3CCOCC3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H24F2N4O4/c31-21-3-6-23(7-4-21)35-13-1-2-24(30(35)38)29(37)34-22-5-8-27(25(32)17-22)40-28-16-20(19-10-14-39-15-11-19)18-36-26(28)9-12-33-36/h1-9,12-13,16-19H,10-11,14-15H2,(H,34,37)
InChIKeyZCOJLQRARGDKLK-UHFFFAOYSA-N
MW542.54 g/mol
LogP5.70
Rot. Bonds6

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

N-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 118197841) has the molecular formula C30H24F2N4O4 and a molecular weight of 542.54 g/mol. Its IUPAC name is N-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID118197841
Molecular FormulaC30H24F2N4O4
Molecular Weight542.54 g/mol
Exact Mass542.18
IUPAC NameN-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(C3CCOCC3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H24F2N4O4/c31-21-3-6-23(7-4-21)35-13-1-2-24(30(35)38)29(37)34-22-5-8-27(25(32)17-22)40-28-16-20(19-10-14-39-15-11-19)18-36-26(28)9-12-33-36/h1-9,12-13,16-19H,10-11,14-15H2,(H,34,37)
InChIKeyZCOJLQRARGDKLK-UHFFFAOYSA-N
XLogP5.70
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.54
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 118197841) is N-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is O=C(Nc1ccc(Oc2cc(C3CCOCC3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is ZCOJLQRARGDKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F2N4O4/c31-21-3-6-23(7-4-21)35-13-1-2-24(30(35)38)29(37)34-22-5-8-27(25(32)17-22)40-28-16-20(19-10-14-39-15-11-19)18-36-26(28)9-12-33-36/h1-9,12-13,16-19H,10-11,14-15H2,(H,34,37).
What are the key properties of N-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
N-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 542.54 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 118197841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).