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

C19H20N6O — CID 143967375

IUPAC1-cyclohexyl-3-methyl-8-(1H-pyrazol-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCCCC2)c2c3nc(-c4ccn[nH]4)ccc3ncc21
InChIInChI=1S/C19H20N6O/c1-24-16-11-20-15-8-7-13(14-9-10-21-23-14)22-17(15)18(16)25(19(24)26)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,21,23)
InChIKeyGXZNZBDWYXDTSK-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.18
Rot. Bonds2

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

1-cyclohexyl-3-methyl-8-(1H-pyrazol-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 143967375) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-methyl-8-(1H-pyrazol-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-methyl-8-(1H-pyrazol-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID143967375
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name1-cyclohexyl-3-methyl-8-(1H-pyrazol-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCCCC2)c2c3nc(-c4ccn[nH]4)ccc3ncc21
InChIInChI=1S/C19H20N6O/c1-24-16-11-20-15-8-7-13(14-9-10-21-23-14)22-17(15)18(16)25(19(24)26)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,21,23)
InChIKeyGXZNZBDWYXDTSK-UHFFFAOYSA-N
XLogP3.18
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methyl-8-(1H-pyrazol-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-cyclohexyl-3-methyl-8-(1H-pyrazol-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 143967375) is 1-cyclohexyl-3-methyl-8-(1H-pyrazol-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-cyclohexyl-3-methyl-8-(1H-pyrazol-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-cyclohexyl-3-methyl-8-(1H-pyrazol-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is Cn1c(=O)n(C2CCCCC2)c2c3nc(-c4ccn[nH]4)ccc3ncc21.
What is the InChIKey of 1-cyclohexyl-3-methyl-8-(1H-pyrazol-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is GXZNZBDWYXDTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-24-16-11-20-15-8-7-13(14-9-10-21-23-14)22-17(15)18(16)25(19(24)26)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,21,23).
What are the key properties of 1-cyclohexyl-3-methyl-8-(1H-pyrazol-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
1-cyclohexyl-3-methyl-8-(1H-pyrazol-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 348.41 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methyl-8-(1H-pyrazol-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 143967375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).