8-(2-aminopyrimidin-5-yl)-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one

C19H20N8O — CID 67348410

IUPAC8-(2-aminopyrimidin-5-yl)-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCNCC2)c2c3nc(-c4cnc(N)nc4)ccc3ncc21
InChIInChI=1S/C19H20N8O/c1-26-15-10-22-14-3-2-13(11-8-23-18(20)24-9-11)25-16(14)17(15)27(19(26)28)12-4-6-21-7-5-12/h2-3,8-10,12,21H,4-7H2,1H3,(H2,20,23,24)
InChIKeyQECSUNFWKPVHIW-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.25
Rot. Bonds2

About 8-(2-aminopyrimidin-5-yl)-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one

8-(2-aminopyrimidin-5-yl)-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 67348410) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is 8-(2-aminopyrimidin-5-yl)-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name8-(2-aminopyrimidin-5-yl)-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID67348410
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name8-(2-aminopyrimidin-5-yl)-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCNCC2)c2c3nc(-c4cnc(N)nc4)ccc3ncc21
InChIInChI=1S/C19H20N8O/c1-26-15-10-22-14-3-2-13(11-8-23-18(20)24-9-11)25-16(14)17(15)27(19(26)28)12-4-6-21-7-5-12/h2-3,8-10,12,21H,4-7H2,1H3,(H2,20,23,24)
InChIKeyQECSUNFWKPVHIW-UHFFFAOYSA-N
XLogP1.25
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminopyrimidin-5-yl)-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 8-(2-aminopyrimidin-5-yl)-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 67348410) is 8-(2-aminopyrimidin-5-yl)-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 8-(2-aminopyrimidin-5-yl)-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 8-(2-aminopyrimidin-5-yl)-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one is Cn1c(=O)n(C2CCNCC2)c2c3nc(-c4cnc(N)nc4)ccc3ncc21.
What is the InChIKey of 8-(2-aminopyrimidin-5-yl)-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is QECSUNFWKPVHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c1-26-15-10-22-14-3-2-13(11-8-23-18(20)24-9-11)25-16(14)17(15)27(19(26)28)12-4-6-21-7-5-12/h2-3,8-10,12,21H,4-7H2,1H3,(H2,20,23,24).
What are the key properties of 8-(2-aminopyrimidin-5-yl)-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
8-(2-aminopyrimidin-5-yl)-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 376.42 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminopyrimidin-5-yl)-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 67348410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).