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

C30H20F2N6O3 — CID 118197834

IUPAC1-(4-fluorophenyl)-N-[3-fluoro-4-[6-(pyridin-2-ylamino)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(Nc3ccccn3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H20F2N6O3/c31-19-6-9-22(10-7-19)37-15-3-4-23(30(37)40)29(39)36-20-8-11-26(24(32)16-20)41-27-17-21(18-38-25(27)12-14-34-38)35-28-5-1-2-13-33-28/h1-18H,(H,33,35)(H,36,39)
InChIKeyMBCNUYZPTPBCEI-UHFFFAOYSA-N
MW550.53 g/mol
LogP5.95
Rot. Bonds7

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

1-(4-fluorophenyl)-N-[3-fluoro-4-[6-(pyridin-2-ylamino)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide (PubChem CID 118197834) has the molecular formula C30H20F2N6O3 and a molecular weight of 550.53 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-fluoro-4-[6-(pyridin-2-ylamino)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-fluoro-4-[6-(pyridin-2-ylamino)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
PubChem CID118197834
Molecular FormulaC30H20F2N6O3
Molecular Weight550.53 g/mol
Exact Mass550.16
IUPAC Name1-(4-fluorophenyl)-N-[3-fluoro-4-[6-(pyridin-2-ylamino)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(Nc3ccccn3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H20F2N6O3/c31-19-6-9-22(10-7-19)37-15-3-4-23(30(37)40)29(39)36-20-8-11-26(24(32)16-20)41-27-17-21(18-38-25(27)12-14-34-38)35-28-5-1-2-13-33-28/h1-18H,(H,33,35)(H,36,39)
InChIKeyMBCNUYZPTPBCEI-UHFFFAOYSA-N
XLogP5.95
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.53
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-fluoro-4-[6-(pyridin-2-ylamino)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-fluoro-4-[6-(pyridin-2-ylamino)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide (CID 118197834) is 1-(4-fluorophenyl)-N-[3-fluoro-4-[6-(pyridin-2-ylamino)pyrazolo[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-2-ylamino)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-fluoro-4-[6-(pyridin-2-ylamino)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide is O=C(Nc1ccc(Oc2cc(Nc3ccccn3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-fluoro-4-[6-(pyridin-2-ylamino)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is MBCNUYZPTPBCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20F2N6O3/c31-19-6-9-22(10-7-19)37-15-3-4-23(30(37)40)29(39)36-20-8-11-26(24(32)16-20)41-27-17-21(18-38-25(27)12-14-34-38)35-28-5-1-2-13-33-28/h1-18H,(H,33,35)(H,36,39).
What are the key properties of 1-(4-fluorophenyl)-N-[3-fluoro-4-[6-(pyridin-2-ylamino)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide?
1-(4-fluorophenyl)-N-[3-fluoro-4-[6-(pyridin-2-ylamino)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 550.53 g/mol, XLogP of 5.95, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-fluoro-4-[6-(pyridin-2-ylamino)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 118197834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).