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

C31H21F2N5O3 — CID 118197615

IUPACN-[4-(6-anilinopyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(Nc3ccccc3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C31H21F2N5O3/c32-20-8-11-24(12-9-20)37-16-4-7-25(31(37)40)30(39)36-22-10-13-28(26(33)17-22)41-29-18-23(19-38-27(29)14-15-34-38)35-21-5-2-1-3-6-21/h1-19,35H,(H,36,39)
InChIKeyRKMBLDXVBDCXBO-UHFFFAOYSA-N
MW549.54 g/mol
LogP6.55
Rot. Bonds7

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

N-[4-(6-anilinopyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 118197615) has the molecular formula C31H21F2N5O3 and a molecular weight of 549.54 g/mol. Its IUPAC name is N-[4-(6-anilinopyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(6-anilinopyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID118197615
Molecular FormulaC31H21F2N5O3
Molecular Weight549.54 g/mol
Exact Mass549.16
IUPAC NameN-[4-(6-anilinopyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(Nc3ccccc3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C31H21F2N5O3/c32-20-8-11-24(12-9-20)37-16-4-7-25(31(37)40)30(39)36-22-10-13-28(26(33)17-22)41-29-18-23(19-38-27(29)14-15-34-38)35-21-5-2-1-3-6-21/h1-19,35H,(H,36,39)
InChIKeyRKMBLDXVBDCXBO-UHFFFAOYSA-N
XLogP6.55
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.54
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-anilinopyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-(6-anilinopyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 118197615) is N-[4-(6-anilinopyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-(6-anilinopyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-(6-anilinopyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is O=C(Nc1ccc(Oc2cc(Nc3ccccc3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-[4-(6-anilinopyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is RKMBLDXVBDCXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21F2N5O3/c32-20-8-11-24(12-9-20)37-16-4-7-25(31(37)40)30(39)36-22-10-13-28(26(33)17-22)41-29-18-23(19-38-27(29)14-15-34-38)35-21-5-2-1-3-6-21/h1-19,35H,(H,36,39).
What are the key properties of N-[4-(6-anilinopyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
N-[4-(6-anilinopyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 549.54 g/mol, XLogP of 6.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-anilinopyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 118197615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).