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

C20H23N7O2 — CID 67347657

IUPAC8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCNCC2)c2c3nc(-c4cnn(CCO)c4)ccc3ncc21
InChIInChI=1S/C20H23N7O2/c1-25-17-11-22-16-3-2-15(13-10-23-26(12-13)8-9-28)24-18(16)19(17)27(20(25)29)14-4-6-21-7-5-14/h2-3,10-12,14,21,28H,4-9H2,1H3
InChIKeyPOVVLZUOSSJECG-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.06
Rot. Bonds4

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

8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 67347657) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID67347657
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCNCC2)c2c3nc(-c4cnn(CCO)c4)ccc3ncc21
InChIInChI=1S/C20H23N7O2/c1-25-17-11-22-16-3-2-15(13-10-23-26(12-13)8-9-28)24-18(16)19(17)27(20(25)29)14-4-6-21-7-5-14/h2-3,10-12,14,21,28H,4-9H2,1H3
InChIKeyPOVVLZUOSSJECG-UHFFFAOYSA-N
XLogP1.06
TPSA102.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 67347657) is 8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one is Cn1c(=O)n(C2CCNCC2)c2c3nc(-c4cnn(CCO)c4)ccc3ncc21.
What is the InChIKey of 8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is POVVLZUOSSJECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-25-17-11-22-16-3-2-15(13-10-23-26(12-13)8-9-28)24-18(16)19(17)27(20(25)29)14-4-6-21-7-5-14/h2-3,10-12,14,21,28H,4-9H2,1H3.
What are the key properties of 8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 393.45 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 67347657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).