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

C20H22N6O3 — CID 58379642

IUPAC8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCOCC2)c2c3nc(-c4cnn(CCO)c4)ccc3ncc21
InChIInChI=1S/C20H22N6O3/c1-24-17-11-21-16-3-2-15(13-10-22-25(12-13)6-7-27)23-18(16)19(17)26(20(24)28)14-4-8-29-9-5-14/h2-3,10-12,14,27H,4-9H2,1H3
InChIKeyTUBHULNFNCFGRD-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.49
Rot. Bonds4

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

8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379642) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379642
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCOCC2)c2c3nc(-c4cnn(CCO)c4)ccc3ncc21
InChIInChI=1S/C20H22N6O3/c1-24-17-11-21-16-3-2-15(13-10-22-25(12-13)6-7-27)23-18(16)19(17)26(20(24)28)14-4-8-29-9-5-14/h2-3,10-12,14,27H,4-9H2,1H3
InChIKeyTUBHULNFNCFGRD-UHFFFAOYSA-N
XLogP1.49
TPSA99.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

PF-04979064
CID 46866705
1-{3-[3-(1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
CID 132186523
1-[1-(2-Hydroxyacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379507
US10023576, Example 65
CID 130362892
1-[(3R,5S)-4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-3,5-dimethylpiperazin-1-yl]-2-hydroxyethanone
CID 130363602
1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 132186514
1-(4-hydroxycyclohexyl)-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379525
8-[6-(Dimethylamino)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379536
1-(4-hydroxycyclohexyl)-8-(1H-indazol-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379548
1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379570
1-[6-[6-(6-Methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidine-3,4-diol
CID 72714577
1-[3-isoquinolin-1-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 145975493

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379642) is 8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is Cn1c(=O)n(C2CCOCC2)c2c3nc(-c4cnn(CCO)c4)ccc3ncc21.
What is the InChIKey of 8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is TUBHULNFNCFGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-24-17-11-21-16-3-2-15(13-10-22-25(12-13)6-7-27)23-18(16)19(17)26(20(24)28)14-4-8-29-9-5-14/h2-3,10-12,14,27H,4-9H2,1H3.
What are the key properties of 8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 394.44 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 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-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).