5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydro-3,1-benzoxazin-2-one

C18H14N6O2 — CID 121249944

IUPAC5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydro-3,1-benzoxazin-2-one
SMILESCn1cc(-c2nc3nccc(-c4cccc5c4COC(=O)N5)c3[nH]2)cn1
InChIInChI=1S/C18H14N6O2/c1-24-8-10(7-20-24)16-22-15-12(5-6-19-17(15)23-16)11-3-2-4-14-13(11)9-26-18(25)21-14/h2-8H,9H2,1H3,(H,21,25)(H,19,22,23)
InChIKeyIKOAVWVOJCSSQZ-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.09
Rot. Bonds2

About 5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydro-3,1-benzoxazin-2-one

5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydro-3,1-benzoxazin-2-one (PubChem CID 121249944) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydro-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydro-3,1-benzoxazin-2-one
PubChem CID121249944
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydro-3,1-benzoxazin-2-one
SMILESCn1cc(-c2nc3nccc(-c4cccc5c4COC(=O)N5)c3[nH]2)cn1
InChIInChI=1S/C18H14N6O2/c1-24-8-10(7-20-24)16-22-15-12(5-6-19-17(15)23-16)11-3-2-4-14-13(11)9-26-18(25)21-14/h2-8H,9H2,1H3,(H,21,25)(H,19,22,23)
InChIKeyIKOAVWVOJCSSQZ-UHFFFAOYSA-N
XLogP3.09
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydro-3,1-benzoxazin-2-one?
The IUPAC name of 5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydro-3,1-benzoxazin-2-one (CID 121249944) is 5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydro-3,1-benzoxazin-2-one.
What is the SMILES notation for 5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydro-3,1-benzoxazin-2-one?
The canonical SMILES for 5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydro-3,1-benzoxazin-2-one is Cn1cc(-c2nc3nccc(-c4cccc5c4COC(=O)N5)c3[nH]2)cn1.
What is the InChIKey of 5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydro-3,1-benzoxazin-2-one?
The InChIKey is IKOAVWVOJCSSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c1-24-8-10(7-20-24)16-22-15-12(5-6-19-17(15)23-16)11-3-2-4-14-13(11)9-26-18(25)21-14/h2-8H,9H2,1H3,(H,21,25)(H,19,22,23).
What are the key properties of 5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydro-3,1-benzoxazin-2-one?
5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydro-3,1-benzoxazin-2-one has a molecular weight of 346.35 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydro-3,1-benzoxazin-2-one is sourced from PubChem (CID 121249944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).