7-fluoro-6-[4-(pyrazolo[1,5-a]pyridin-7-yloxymethyl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one

C22H21FN4O4 — CID 134226354

IUPAC7-fluoro-6-[4-(pyrazolo[1,5-a]pyridin-7-yloxymethyl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(F)c(C(=O)N3CCC(COc4cccc5ccnn45)CC3)cc2N1
InChIInChI=1S/C22H21FN4O4/c23-17-11-19-18(25-20(28)13-30-19)10-16(17)22(29)26-8-5-14(6-9-26)12-31-21-3-1-2-15-4-7-24-27(15)21/h1-4,7,10-11,14H,5-6,8-9,12-13H2,(H,25,28)
InChIKeyCNJSNLGMUKQYGS-UHFFFAOYSA-N
MW424.43 g/mol
LogP2.74
Rot. Bonds4

About 7-fluoro-6-[4-(pyrazolo[1,5-a]pyridin-7-yloxymethyl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one

7-fluoro-6-[4-(pyrazolo[1,5-a]pyridin-7-yloxymethyl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one (PubChem CID 134226354) has the molecular formula C22H21FN4O4 and a molecular weight of 424.43 g/mol. Its IUPAC name is 7-fluoro-6-[4-(pyrazolo[1,5-a]pyridin-7-yloxymethyl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-fluoro-6-[4-(pyrazolo[1,5-a]pyridin-7-yloxymethyl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
PubChem CID134226354
Molecular FormulaC22H21FN4O4
Molecular Weight424.43 g/mol
Exact Mass424.15
IUPAC Name7-fluoro-6-[4-(pyrazolo[1,5-a]pyridin-7-yloxymethyl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(F)c(C(=O)N3CCC(COc4cccc5ccnn45)CC3)cc2N1
InChIInChI=1S/C22H21FN4O4/c23-17-11-19-18(25-20(28)13-30-19)10-16(17)22(29)26-8-5-14(6-9-26)12-31-21-3-1-2-15-4-7-24-27(15)21/h1-4,7,10-11,14H,5-6,8-9,12-13H2,(H,25,28)
InChIKeyCNJSNLGMUKQYGS-UHFFFAOYSA-N
XLogP2.74
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-6-[4-(pyrazolo[1,5-a]pyridin-7-yloxymethyl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

2-chloro-3-[[1-(7-fluoro-3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methoxy]benzonitrile
CID 134226665
methyl 5-fluoro-2-[[1-(7-fluoro-3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methoxy]benzoate
CID 134226366
6-[3-(1,3-benzothiazol-4-yloxymethyl)azetidine-1-carbonyl]-7-fluoro-4H-1,4-benzoxazin-3-one
CID 134226643
6-[3-[(4-chloro-3-fluorophenoxy)methyl]azetidine-1-carbonyl]-7-fluoro-4H-1,4-benzoxazin-3-one
CID 134226583
6-[3-[[4-chloro-2-(2-fluoro-4-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-1,4-benzoxazin-3-one
CID 134226469
7-fluoro-6-[3-[(2-methyl-2,3-dihydro-1,3-benzothiazol-6-yl)oxymethyl]azetidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 134239099
6-[3-[[4-chloro-2-(2-ethyl-3-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-1,4-benzoxazin-3-one
CID 134226347
6-[3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-fluorophenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-1,4-benzoxazin-3-one
CID 134226683
6-[3-[(4-tert-butyl-2-chlorophenoxy)methyl]azetidine-1-carbonyl]-7-fluoro-4H-1,4-benzoxazin-3-one
CID 134226666
6-[3-[1-(2,6-difluorophenoxy)ethyl]azetidine-1-carbonyl]-7-fluoro-4H-1,4-benzoxazin-3-one
CID 134226409
6-[3-[[4-chloro-2-(6-methyl-3-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-1,4-benzoxazin-3-one
CID 134226324
6-[3-[[4-chloro-2-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-1,4-benzoxazin-3-one
CID 134226679

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[4-(pyrazolo[1,5-a]pyridin-7-yloxymethyl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-fluoro-6-[4-(pyrazolo[1,5-a]pyridin-7-yloxymethyl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one (CID 134226354) is 7-fluoro-6-[4-(pyrazolo[1,5-a]pyridin-7-yloxymethyl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-fluoro-6-[4-(pyrazolo[1,5-a]pyridin-7-yloxymethyl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-fluoro-6-[4-(pyrazolo[1,5-a]pyridin-7-yloxymethyl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one is O=C1COc2cc(F)c(C(=O)N3CCC(COc4cccc5ccnn45)CC3)cc2N1.
What is the InChIKey of 7-fluoro-6-[4-(pyrazolo[1,5-a]pyridin-7-yloxymethyl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is CNJSNLGMUKQYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O4/c23-17-11-19-18(25-20(28)13-30-19)10-16(17)22(29)26-8-5-14(6-9-26)12-31-21-3-1-2-15-4-7-24-27(15)21/h1-4,7,10-11,14H,5-6,8-9,12-13H2,(H,25,28).
What are the key properties of 7-fluoro-6-[4-(pyrazolo[1,5-a]pyridin-7-yloxymethyl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one?
7-fluoro-6-[4-(pyrazolo[1,5-a]pyridin-7-yloxymethyl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 424.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[4-(pyrazolo[1,5-a]pyridin-7-yloxymethyl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 134226354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).