8-(2-aminopyrimidin-5-yl)-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one

C20H21N7O2 — CID 58379523

IUPAC8-(2-aminopyrimidin-5-yl)-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCC(O)CC2)c2c3nc(-c4cnc(N)nc4)ccc3ncc21
InChIInChI=1S/C20H21N7O2/c1-26-16-10-22-15-7-6-14(11-8-23-19(21)24-9-11)25-17(15)18(16)27(20(26)29)12-2-4-13(28)5-3-12/h6-10,12-13,28H,2-5H2,1H3,(H2,21,23,24)
InChIKeyITCPHICQZLTGMF-UHFFFAOYSA-N
MW391.44 g/mol
LogP1.80
Rot. Bonds2

About 8-(2-aminopyrimidin-5-yl)-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one

8-(2-aminopyrimidin-5-yl)-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379523) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 8-(2-aminopyrimidin-5-yl)-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name8-(2-aminopyrimidin-5-yl)-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379523
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name8-(2-aminopyrimidin-5-yl)-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCC(O)CC2)c2c3nc(-c4cnc(N)nc4)ccc3ncc21
InChIInChI=1S/C20H21N7O2/c1-26-16-10-22-15-7-6-14(11-8-23-19(21)24-9-11)25-17(15)18(16)27(20(26)29)12-2-4-13(28)5-3-12/h6-10,12-13,28H,2-5H2,1H3,(H2,21,23,24)
InChIKeyITCPHICQZLTGMF-UHFFFAOYSA-N
XLogP1.80
TPSA124.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.80
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)-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 8-(2-aminopyrimidin-5-yl)-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379523) is 8-(2-aminopyrimidin-5-yl)-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 8-(2-aminopyrimidin-5-yl)-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 8-(2-aminopyrimidin-5-yl)-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is Cn1c(=O)n(C2CCC(O)CC2)c2c3nc(-c4cnc(N)nc4)ccc3ncc21.
What is the InChIKey of 8-(2-aminopyrimidin-5-yl)-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is ITCPHICQZLTGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-26-16-10-22-15-7-6-14(11-8-23-19(21)24-9-11)25-17(15)18(16)27(20(26)29)12-2-4-13(28)5-3-12/h6-10,12-13,28H,2-5H2,1H3,(H2,21,23,24).
What are the key properties of 8-(2-aminopyrimidin-5-yl)-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
8-(2-aminopyrimidin-5-yl)-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 391.44 g/mol, XLogP of 1.80, 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)-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).