7-fluoro-4-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,4-benzoxazin-3-one

C17H18FN3O2 — CID 18684545

IUPAC7-fluoro-4-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,4-benzoxazin-3-one
SMILESCc1c(-c2cc3c(cc2F)OCC(=O)N3C)nn2c1CCCC2
InChIInChI=1S/C17H18FN3O2/c1-10-13-5-3-4-6-21(13)19-17(10)11-7-14-15(8-12(11)18)23-9-16(22)20(14)2/h7-8H,3-6,9H2,1-2H3
InChIKeyGRUUKMGIWVHFOM-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.69
Rot. Bonds1

About 7-fluoro-4-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,4-benzoxazin-3-one

7-fluoro-4-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,4-benzoxazin-3-one (PubChem CID 18684545) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 7-fluoro-4-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-fluoro-4-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,4-benzoxazin-3-one
PubChem CID18684545
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name7-fluoro-4-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,4-benzoxazin-3-one
SMILESCc1c(-c2cc3c(cc2F)OCC(=O)N3C)nn2c1CCCC2
InChIInChI=1S/C17H18FN3O2/c1-10-13-5-3-4-6-21(13)19-17(10)11-7-14-15(8-12(11)18)23-9-16(22)20(14)2/h7-8H,3-6,9H2,1-2H3
InChIKeyGRUUKMGIWVHFOM-UHFFFAOYSA-N
XLogP2.69
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,4-benzoxazin-3-one?
The IUPAC name of 7-fluoro-4-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,4-benzoxazin-3-one (CID 18684545) is 7-fluoro-4-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-fluoro-4-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,4-benzoxazin-3-one?
The canonical SMILES for 7-fluoro-4-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,4-benzoxazin-3-one is Cc1c(-c2cc3c(cc2F)OCC(=O)N3C)nn2c1CCCC2.
What is the InChIKey of 7-fluoro-4-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,4-benzoxazin-3-one?
The InChIKey is GRUUKMGIWVHFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-10-13-5-3-4-6-21(13)19-17(10)11-7-14-15(8-12(11)18)23-9-16(22)20(14)2/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 7-fluoro-4-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,4-benzoxazin-3-one?
7-fluoro-4-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,4-benzoxazin-3-one has a molecular weight of 315.35 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methyl-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 18684545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).