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

C25H29N7O2 — CID 58379521

IUPAC1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CN(C)C)CC2)c(=O)n4C)cn1
InChIInChI=1S/C25H29N7O2/c1-16-5-6-17(13-26-16)19-7-8-20-23(28-19)24-21(14-27-20)30(4)25(34)32(24)18-9-11-31(12-10-18)22(33)15-29(2)3/h5-8,13-14,18H,9-12,15H2,1-4H3
InChIKeyJFMAOEQGINOHKN-UHFFFAOYSA-N
MW459.55 g/mol
LogP2.38
Rot. Bonds4

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

1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379521) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)acetyl]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-(dimethylamino)acetyl]piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379521
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Name1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CN(C)C)CC2)c(=O)n4C)cn1
InChIInChI=1S/C25H29N7O2/c1-16-5-6-17(13-26-16)19-7-8-20-23(28-19)24-21(14-27-20)30(4)25(34)32(24)18-9-11-31(12-10-18)22(33)15-29(2)3/h5-8,13-14,18H,9-12,15H2,1-4H3
InChIKeyJFMAOEQGINOHKN-UHFFFAOYSA-N
XLogP2.38
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)acetyl]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-(dimethylamino)acetyl]piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379521) is 1-[1-[2-(dimethylamino)acetyl]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-(dimethylamino)acetyl]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-(dimethylamino)acetyl]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(C(=O)CN(C)C)CC2)c(=O)n4C)cn1.
What is the InChIKey of 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is JFMAOEQGINOHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-16-5-6-17(13-26-16)19-7-8-20-23(28-19)24-21(14-27-20)30(4)25(34)32(24)18-9-11-31(12-10-18)22(33)15-29(2)3/h5-8,13-14,18H,9-12,15H2,1-4H3.
What are the key properties of 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 459.55 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).