1-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one

C17H18N6O2 — CID 58379552

IUPAC1-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESC[C@@H](CO)n1c(=O)n(C)c2cnc3ccc(-c4cnn(C)c4)nc3c21
InChIInChI=1S/C17H18N6O2/c1-10(9-24)23-16-14(22(3)17(23)25)7-18-13-5-4-12(20-15(13)16)11-6-19-21(2)8-11/h4-8,10,24H,9H2,1-3H3/t10-/m0/s1
InChIKeyUEZNYVYALSSRDB-JTQLQIEISA-N
MW338.37 g/mol
LogP1.24
Rot. Bonds3

About 1-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one

1-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379552) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379552
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name1-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESC[C@@H](CO)n1c(=O)n(C)c2cnc3ccc(-c4cnn(C)c4)nc3c21
InChIInChI=1S/C17H18N6O2/c1-10(9-24)23-16-14(22(3)17(23)25)7-18-13-5-4-12(20-15(13)16)11-6-19-21(2)8-11/h4-8,10,24H,9H2,1-3H3/t10-/m0/s1
InChIKeyUEZNYVYALSSRDB-JTQLQIEISA-N
XLogP1.24
TPSA90.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379552) is 1-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is C[C@@H](CO)n1c(=O)n(C)c2cnc3ccc(-c4cnn(C)c4)nc3c21.
What is the InChIKey of 1-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is UEZNYVYALSSRDB-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18N6O2/c1-10(9-24)23-16-14(22(3)17(23)25)7-18-13-5-4-12(20-15(13)16)11-6-19-21(2)8-11/h4-8,10,24H,9H2,1-3H3/t10-/m0/s1.
What are the key properties of 1-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
1-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 338.37 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).