1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one

C24H28N8O3 — CID 58379588

IUPAC1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CN(C)C)CC2)c(=O)n4C)cn1
InChIInChI=1S/C24H28N8O3/c1-29(2)14-20(33)31-9-7-16(8-10-31)32-22-19(30(3)24(32)34)13-25-18-6-5-17(28-21(18)22)15-11-26-23(35-4)27-12-15/h5-6,11-13,16H,7-10,14H2,1-4H3
InChIKeyUBJPZCYKCVGWGT-UHFFFAOYSA-N
MW476.54 g/mol
LogP1.47
Rot. Bonds5

About 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one

1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379588) has the molecular formula C24H28N8O3 and a molecular weight of 476.54 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379588
Molecular FormulaC24H28N8O3
Molecular Weight476.54 g/mol
Exact Mass476.23
IUPAC Name1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CN(C)C)CC2)c(=O)n4C)cn1
InChIInChI=1S/C24H28N8O3/c1-29(2)14-20(33)31-9-7-16(8-10-31)32-22-19(30(3)24(32)34)13-25-18-6-5-17(28-21(18)22)15-11-26-23(35-4)27-12-15/h5-6,11-13,16H,7-10,14H2,1-4H3
InChIKeyUBJPZCYKCVGWGT-UHFFFAOYSA-N
XLogP1.47
TPSA111.27 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379588) is 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CN(C)C)CC2)c(=O)n4C)cn1.
What is the InChIKey of 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is UBJPZCYKCVGWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O3/c1-29(2)14-20(33)31-9-7-16(8-10-31)32-22-19(30(3)24(32)34)13-25-18-6-5-17(28-21(18)22)15-11-26-23(35-4)27-12-15/h5-6,11-13,16H,7-10,14H2,1-4H3.
What are the key properties of 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 476.54 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).