1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one

C23H26N6O2 — CID 58379555

IUPAC1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(CCO)CC2)c(=O)n4C)cn1
InChIInChI=1S/C23H26N6O2/c1-15-3-4-16(13-24-15)18-5-6-19-21(26-18)22-20(14-25-19)27(2)23(31)29(22)17-7-9-28(10-8-17)11-12-30/h3-6,13-14,17,30H,7-12H2,1-2H3
InChIKeyDOBJOKJSJXZIOT-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.28
Rot. Bonds4

About 1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one

1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379555) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379555
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(CCO)CC2)c(=O)n4C)cn1
InChIInChI=1S/C23H26N6O2/c1-15-3-4-16(13-24-15)18-5-6-19-21(26-18)22-20(14-25-19)27(2)23(31)29(22)17-7-9-28(10-8-17)11-12-30/h3-6,13-14,17,30H,7-12H2,1-2H3
InChIKeyDOBJOKJSJXZIOT-UHFFFAOYSA-N
XLogP2.28
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379555) is 1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one is Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(CCO)CC2)c(=O)n4C)cn1.
What is the InChIKey of 1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is DOBJOKJSJXZIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-15-3-4-16(13-24-15)18-5-6-19-21(26-18)22-20(14-25-19)27(2)23(31)29(22)17-7-9-28(10-8-17)11-12-30/h3-6,13-14,17,30H,7-12H2,1-2H3.
What are the key properties of 1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 418.50 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).