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

C23H27N7O — CID 58379490

IUPAC8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1
InChIInChI=1S/C23H27N7O/c1-27(2)20-8-5-15(13-25-20)17-6-7-18-21(26-17)22-19(14-24-18)29(4)23(31)30(22)16-9-11-28(3)12-10-16/h5-8,13-14,16H,9-12H2,1-4H3
InChIKeySZMGPYRCPCBJTK-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.68
Rot. Bonds3

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

8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379490) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379490
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1
InChIInChI=1S/C23H27N7O/c1-27(2)20-8-5-15(13-25-20)17-6-7-18-21(26-17)22-19(14-24-18)29(4)23(31)30(22)16-9-11-28(3)12-10-16/h5-8,13-14,16H,9-12H2,1-4H3
InChIKeySZMGPYRCPCBJTK-UHFFFAOYSA-N
XLogP2.68
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379490) is 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is CN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1.
What is the InChIKey of 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is SZMGPYRCPCBJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-27(2)20-8-5-15(13-25-20)17-6-7-18-21(26-17)22-19(14-24-18)29(4)23(31)30(22)16-9-11-28(3)12-10-16/h5-8,13-14,16H,9-12H2,1-4H3.
What are the key properties of 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 417.52 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).