7-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-4H-1,4-benzoxazin-3-one

C20H15N5O2 — CID 146316064

IUPAC7-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-4H-1,4-benzoxazin-3-one
SMILESCc1nc2ccc(-c3ccncc3)nc2n1-c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C20H15N5O2/c1-12-22-17-5-4-15(13-6-8-21-9-7-13)24-20(17)25(12)14-2-3-16-18(10-14)27-11-19(26)23-16/h2-10H,11H2,1H3,(H,23,26)
InChIKeyXPDVNCPNQFBHRH-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.12
Rot. Bonds2

About 7-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-4H-1,4-benzoxazin-3-one

7-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-4H-1,4-benzoxazin-3-one (PubChem CID 146316064) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 7-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-4H-1,4-benzoxazin-3-one
PubChem CID146316064
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name7-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-4H-1,4-benzoxazin-3-one
SMILESCc1nc2ccc(-c3ccncc3)nc2n1-c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C20H15N5O2/c1-12-22-17-5-4-15(13-6-8-21-9-7-13)24-20(17)25(12)14-2-3-16-18(10-14)27-11-19(26)23-16/h2-10H,11H2,1H3,(H,23,26)
InChIKeyXPDVNCPNQFBHRH-UHFFFAOYSA-N
XLogP3.12
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

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7-[[3-(Cyclopropylmethyl)-6-(trifluoromethoxy)benzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
CID 122688120
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Frequently Asked Questions

What is the IUPAC name of 7-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-4H-1,4-benzoxazin-3-one (CID 146316064) is 7-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-4H-1,4-benzoxazin-3-one is Cc1nc2ccc(-c3ccncc3)nc2n1-c1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of 7-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-4H-1,4-benzoxazin-3-one?
The InChIKey is XPDVNCPNQFBHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-12-22-17-5-4-15(13-6-8-21-9-7-13)24-20(17)25(12)14-2-3-16-18(10-14)27-11-19(26)23-16/h2-10H,11H2,1H3,(H,23,26).
What are the key properties of 7-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-4H-1,4-benzoxazin-3-one?
7-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-4H-1,4-benzoxazin-3-one has a molecular weight of 357.37 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 146316064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).