3-chloro-5-[(6-methyl-5,6-dihydropyrazolo[1,5-h][1,7]naphthyridin-5-yl)oxy]pyridine-4-carbaldehyde

C17H13ClN4O2 — CID 134546535

IUPAC3-chloro-5-[(6-methyl-5,6-dihydropyrazolo[1,5-h][1,7]naphthyridin-5-yl)oxy]pyridine-4-carbaldehyde
SMILESCC1C(Oc2cncc(Cl)c2C=O)c2cccnc2-c2ccnn21
InChIInChI=1S/C17H13ClN4O2/c1-10-17(24-15-8-19-7-13(18)12(15)9-23)11-3-2-5-20-16(11)14-4-6-21-22(10)14/h2-10,17H,1H3
InChIKeyIAHBGLNEJOSPJT-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.50
Rot. Bonds3

About 3-chloro-5-[(6-methyl-5,6-dihydropyrazolo[1,5-h][1,7]naphthyridin-5-yl)oxy]pyridine-4-carbaldehyde

3-chloro-5-[(6-methyl-5,6-dihydropyrazolo[1,5-h][1,7]naphthyridin-5-yl)oxy]pyridine-4-carbaldehyde (PubChem CID 134546535) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is 3-chloro-5-[(6-methyl-5,6-dihydropyrazolo[1,5-h][1,7]naphthyridin-5-yl)oxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-[(6-methyl-5,6-dihydropyrazolo[1,5-h][1,7]naphthyridin-5-yl)oxy]pyridine-4-carbaldehyde
PubChem CID134546535
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC Name3-chloro-5-[(6-methyl-5,6-dihydropyrazolo[1,5-h][1,7]naphthyridin-5-yl)oxy]pyridine-4-carbaldehyde
SMILESCC1C(Oc2cncc(Cl)c2C=O)c2cccnc2-c2ccnn21
InChIInChI=1S/C17H13ClN4O2/c1-10-17(24-15-8-19-7-13(18)12(15)9-23)11-3-2-5-20-16(11)14-4-6-21-22(10)14/h2-10,17H,1H3
InChIKeyIAHBGLNEJOSPJT-UHFFFAOYSA-N
XLogP3.50
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-((2-(1-isopropyl-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)-2-methoxyisonicotinaldehyde
CID 85472986
2-methoxy-5-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 71621761
5-[[2-(1,4-Dimethylpyrazol-5-yl)-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde
CID 71622314
2-(2-Methoxyethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 71622318
5-[[2-[2-(2-Hydroxyethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde
CID 85472991
2-(Difluoromethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)pyridin-3-yl]methoxy]pyridine-4-carbaldehyde
CID 85473234
3-[[2-(2-Propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde
CID 85473236
6-Methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde
CID 85473237
3-hydroxy-5-((2-(1-isopropyl-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)isonicotinaldehyde
CID 85473368
3-((2-(1-isopropyl-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)-5-methoxyisonicotinaldehyde
CID 85473369
2-Methoxy-5-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 86282029
2-Methoxy-5-[[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 89654968

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(6-methyl-5,6-dihydropyrazolo[1,5-h][1,7]naphthyridin-5-yl)oxy]pyridine-4-carbaldehyde?
The IUPAC name of 3-chloro-5-[(6-methyl-5,6-dihydropyrazolo[1,5-h][1,7]naphthyridin-5-yl)oxy]pyridine-4-carbaldehyde (CID 134546535) is 3-chloro-5-[(6-methyl-5,6-dihydropyrazolo[1,5-h][1,7]naphthyridin-5-yl)oxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 3-chloro-5-[(6-methyl-5,6-dihydropyrazolo[1,5-h][1,7]naphthyridin-5-yl)oxy]pyridine-4-carbaldehyde?
The canonical SMILES for 3-chloro-5-[(6-methyl-5,6-dihydropyrazolo[1,5-h][1,7]naphthyridin-5-yl)oxy]pyridine-4-carbaldehyde is CC1C(Oc2cncc(Cl)c2C=O)c2cccnc2-c2ccnn21.
What is the InChIKey of 3-chloro-5-[(6-methyl-5,6-dihydropyrazolo[1,5-h][1,7]naphthyridin-5-yl)oxy]pyridine-4-carbaldehyde?
The InChIKey is IAHBGLNEJOSPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c1-10-17(24-15-8-19-7-13(18)12(15)9-23)11-3-2-5-20-16(11)14-4-6-21-22(10)14/h2-10,17H,1H3.
What are the key properties of 3-chloro-5-[(6-methyl-5,6-dihydropyrazolo[1,5-h][1,7]naphthyridin-5-yl)oxy]pyridine-4-carbaldehyde?
3-chloro-5-[(6-methyl-5,6-dihydropyrazolo[1,5-h][1,7]naphthyridin-5-yl)oxy]pyridine-4-carbaldehyde has a molecular weight of 340.77 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(6-methyl-5,6-dihydropyrazolo[1,5-h][1,7]naphthyridin-5-yl)oxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 134546535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).