1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(2-methoxyphenyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one

C24H25N5O4 — CID 58379494

IUPAC1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(2-methoxyphenyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ccccc1-c1ccc2ncc3c(c2n1)n(C1CCN(C(=O)CO)CC1)c(=O)n3C
InChIInChI=1S/C24H25N5O4/c1-27-19-13-25-18-8-7-17(16-5-3-4-6-20(16)33-2)26-22(18)23(19)29(24(27)32)15-9-11-28(12-10-15)21(31)14-30/h3-8,13,15,30H,9-12,14H2,1-2H3
InChIKeyGRHZRVMBLWRWPF-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.11
Rot. Bonds4

About 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(2-methoxyphenyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one

1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(2-methoxyphenyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379494) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(2-methoxyphenyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(2-methoxyphenyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379494
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC Name1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(2-methoxyphenyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ccccc1-c1ccc2ncc3c(c2n1)n(C1CCN(C(=O)CO)CC1)c(=O)n3C
InChIInChI=1S/C24H25N5O4/c1-27-19-13-25-18-8-7-17(16-5-3-4-6-20(16)33-2)26-22(18)23(19)29(24(27)32)15-9-11-28(12-10-15)21(31)14-30/h3-8,13,15,30H,9-12,14H2,1-2H3
InChIKeyGRHZRVMBLWRWPF-UHFFFAOYSA-N
XLogP2.11
TPSA102.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(2-methoxyphenyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(2-methoxyphenyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379494) is 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(2-methoxyphenyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(2-methoxyphenyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(2-methoxyphenyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is COc1ccccc1-c1ccc2ncc3c(c2n1)n(C1CCN(C(=O)CO)CC1)c(=O)n3C.
What is the InChIKey of 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(2-methoxyphenyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is GRHZRVMBLWRWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-27-19-13-25-18-8-7-17(16-5-3-4-6-20(16)33-2)26-22(18)23(19)29(24(27)32)15-9-11-28(12-10-15)21(31)14-30/h3-8,13,15,30H,9-12,14H2,1-2H3.
What are the key properties of 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(2-methoxyphenyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(2-methoxyphenyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 447.50 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(2-methoxyphenyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).