5-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-7-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-one

C26H19F2N5O3 — CID 148613286

IUPAC5-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-7-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-one
SMILESCn1ncc2cc(C(=O)Cc3ccc(Oc4ccnc(N)c4)c(F)c3)c(=O)n(-c3ccc(F)cc3)c21
InChIInChI=1S/C26H19F2N5O3/c1-32-25-16(14-31-32)12-20(26(35)33(25)18-5-3-17(27)4-6-18)22(34)11-15-2-7-23(21(28)10-15)36-19-8-9-30-24(29)13-19/h2-10,12-14H,11H2,1H3,(H2,29,30)
InChIKeyNEUIKKXFKMPFOS-UHFFFAOYSA-N
MW487.47 g/mol
LogP4.20
Rot. Bonds6

About 5-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-7-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-one

5-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-7-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-one (PubChem CID 148613286) has the molecular formula C26H19F2N5O3 and a molecular weight of 487.47 g/mol. Its IUPAC name is 5-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-7-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name5-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-7-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-one
PubChem CID148613286
Molecular FormulaC26H19F2N5O3
Molecular Weight487.47 g/mol
Exact Mass487.15
IUPAC Name5-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-7-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-one
SMILESCn1ncc2cc(C(=O)Cc3ccc(Oc4ccnc(N)c4)c(F)c3)c(=O)n(-c3ccc(F)cc3)c21
InChIInChI=1S/C26H19F2N5O3/c1-32-25-16(14-31-32)12-20(26(35)33(25)18-5-3-17(27)4-6-18)22(34)11-15-2-7-23(21(28)10-15)36-19-8-9-30-24(29)13-19/h2-10,12-14H,11H2,1H3,(H2,29,30)
InChIKeyNEUIKKXFKMPFOS-UHFFFAOYSA-N
XLogP4.20
TPSA105.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-[3-fluoro-4-[1-methyl-6-(2-methyl-4-pyridinyl)indazol-5-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one;methanesulfonic acid
CID 158401524
5-[2-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]acetyl]-3-(4-fluorophenyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 167554094
5-[2-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]acetyl]-3-(4-methoxyphenyl)-1-propan-2-ylpyrimidine-2,4-dione
CID 167570095
5-bromo-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one
CID 167621785
5-ethyl-7-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-one
CID 90292541
3-bromo-5-[2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-hydroxypyridin-2-one
CID 163413234
3-[2-[4-[[6-[2-(dimethylamino)ethoxy]-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one
CID 167614648
5-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione
CID 149417288
5-fluoro-3-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-1-(4-fluorophenyl)-4,6-dimethylpyridin-2-one
CID 167659973
5-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-methylpyrimidin-4-one
CID 167546817
1-(5-amino-1-methylpyrazol-4-yl)-2-(3,4-difluorophenyl)ethanone
CID 82919912
N-[3-chloro-4-[2-fluoro-4-[2-[4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridin-6-yl]-2-oxoethyl]phenoxy]-2-pyridinyl]-4-methylpiperazine-1-carboxamide
CID 160570977

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-7-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 5-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-7-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-one (CID 148613286) is 5-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-7-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 5-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-7-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 5-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-7-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-one is Cn1ncc2cc(C(=O)Cc3ccc(Oc4ccnc(N)c4)c(F)c3)c(=O)n(-c3ccc(F)cc3)c21.
What is the InChIKey of 5-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-7-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-one?
The InChIKey is NEUIKKXFKMPFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N5O3/c1-32-25-16(14-31-32)12-20(26(35)33(25)18-5-3-17(27)4-6-18)22(34)11-15-2-7-23(21(28)10-15)36-19-8-9-30-24(29)13-19/h2-10,12-14H,11H2,1H3,(H2,29,30).
What are the key properties of 5-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-7-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-one?
5-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-7-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-one has a molecular weight of 487.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-7-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 148613286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).