3-methyl-1-(oxan-4-yl)-8-(1H-pyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one

C18H18N6O2 — CID 58379517

IUPAC3-methyl-1-(oxan-4-yl)-8-(1H-pyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCOCC2)c2c3nc(-c4cn[nH]c4)ccc3ncc21
InChIInChI=1S/C18H18N6O2/c1-23-15-10-19-14-3-2-13(11-8-20-21-9-11)22-16(14)17(15)24(18(23)25)12-4-6-26-7-5-12/h2-3,8-10,12H,4-7H2,1H3,(H,20,21)
InChIKeyWIDRBUSEFGYJCE-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.02
Rot. Bonds2

About 3-methyl-1-(oxan-4-yl)-8-(1H-pyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one

3-methyl-1-(oxan-4-yl)-8-(1H-pyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379517) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-methyl-1-(oxan-4-yl)-8-(1H-pyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-(oxan-4-yl)-8-(1H-pyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379517
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name3-methyl-1-(oxan-4-yl)-8-(1H-pyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCOCC2)c2c3nc(-c4cn[nH]c4)ccc3ncc21
InChIInChI=1S/C18H18N6O2/c1-23-15-10-19-14-3-2-13(11-8-20-21-9-11)22-16(14)17(15)24(18(23)25)12-4-6-26-7-5-12/h2-3,8-10,12H,4-7H2,1H3,(H,20,21)
InChIKeyWIDRBUSEFGYJCE-UHFFFAOYSA-N
XLogP2.02
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-4-yl)-8-(1H-pyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 3-methyl-1-(oxan-4-yl)-8-(1H-pyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379517) is 3-methyl-1-(oxan-4-yl)-8-(1H-pyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 3-methyl-1-(oxan-4-yl)-8-(1H-pyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 3-methyl-1-(oxan-4-yl)-8-(1H-pyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is Cn1c(=O)n(C2CCOCC2)c2c3nc(-c4cn[nH]c4)ccc3ncc21.
What is the InChIKey of 3-methyl-1-(oxan-4-yl)-8-(1H-pyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is WIDRBUSEFGYJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-23-15-10-19-14-3-2-13(11-8-20-21-9-11)22-16(14)17(15)24(18(23)25)12-4-6-26-7-5-12/h2-3,8-10,12H,4-7H2,1H3,(H,20,21).
What are the key properties of 3-methyl-1-(oxan-4-yl)-8-(1H-pyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
3-methyl-1-(oxan-4-yl)-8-(1H-pyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 350.38 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxan-4-yl)-8-(1H-pyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).