1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one

C21H23N7O2 — CID 58379565

IUPAC1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnn(C)c5)nc4c32)CC1
InChIInChI=1S/C21H23N7O2/c1-13(29)27-8-6-15(7-9-27)28-20-18(26(3)21(28)30)11-22-17-5-4-16(24-19(17)20)14-10-23-25(2)12-14/h4-5,10-12,15H,6-9H2,1-3H3
InChIKeyROPAGYAHBIXGBF-UHFFFAOYSA-N
MW405.46 g/mol
LogP1.87
Rot. Bonds2

About 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one

1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379565) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379565
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnn(C)c5)nc4c32)CC1
InChIInChI=1S/C21H23N7O2/c1-13(29)27-8-6-15(7-9-27)28-20-18(26(3)21(28)30)11-22-17-5-4-16(24-19(17)20)14-10-23-25(2)12-14/h4-5,10-12,15H,6-9H2,1-3H3
InChIKeyROPAGYAHBIXGBF-UHFFFAOYSA-N
XLogP1.87
TPSA90.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379565) is 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnn(C)c5)nc4c32)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is ROPAGYAHBIXGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-13(29)27-8-6-15(7-9-27)28-20-18(26(3)21(28)30)11-22-17-5-4-16(24-19(17)20)14-10-23-25(2)12-14/h4-5,10-12,15H,6-9H2,1-3H3.
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 405.46 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).