3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal

C15H13ClN4O — CID 90289230

IUPAC3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal
SMILESCc1nn(CCC=O)cc1-c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C15H13ClN4O/c1-10-12(9-20(19-10)5-2-6-21)11-7-14-13(17-8-11)3-4-15(16)18-14/h3-4,6-9H,2,5H2,1H3
InChIKeySBJKKTRTTAJZBR-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.04
Rot. Bonds4

About 3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal

3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal (PubChem CID 90289230) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal.

Molecular Properties

Compound Name3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal
PubChem CID90289230
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal
SMILESCc1nn(CCC=O)cc1-c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C15H13ClN4O/c1-10-12(9-20(19-10)5-2-6-21)11-7-14-13(17-8-11)3-4-15(16)18-14/h3-4,6-9H,2,5H2,1H3
InChIKeySBJKKTRTTAJZBR-UHFFFAOYSA-N
XLogP3.04
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol
CID 90288841
2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine
CID 90289071
2-chloro-7-[1-methyl-3-(2-methyl-3-pyridinyl)pyrazol-4-yl]-1,5-naphthyridine
CID 90289025
2-chloro-7-[1-methyl-3-(5-methyl-3-pyridinyl)pyrazol-4-yl]-1,5-naphthyridine
CID 90288857
2-chloro-7-[3-(6-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine
CID 90288377
2-chloro-7-[1-[(6-methyl-3-pyridinyl)methyl]pyrazol-4-yl]-1,5-naphthyridine
CID 118504065
3-(4-iodo-3-methylpyrazol-1-yl)propanal
CID 90289557
2-chloro-7-(1-cyclopropyl-2-methyl-3H-pyrazol-4-yl)-1,5-naphthyridine
CID 90288978
4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-ethylpyrazol-1-yl]propyl]morpholine;7-[3-ethyl-1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 157311173
5-(6-chloro-1,5-naphthyridin-3-yl)-1-(3-morpholin-4-ylpropyl)pyridin-2-one
CID 90288804
7-(1,3-dimethylpyrazol-4-yl)-N-(1-propan-2-ylimidazol-4-yl)-1,5-naphthyridin-2-amine
CID 90289452
2-methoxy-5-(3-methyl-1-propylpyrazol-4-yl)benzaldehyde
CID 66020620

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal?
The IUPAC name of 3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal (CID 90289230) is 3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal.
What is the SMILES notation for 3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal?
The canonical SMILES for 3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal is Cc1nn(CCC=O)cc1-c1cnc2ccc(Cl)nc2c1.
What is the InChIKey of 3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal?
The InChIKey is SBJKKTRTTAJZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-10-12(9-20(19-10)5-2-6-21)11-7-14-13(17-8-11)3-4-15(16)18-14/h3-4,6-9H,2,5H2,1H3.
What are the key properties of 3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal?
3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal has a molecular weight of 300.75 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal is sourced from PubChem (CID 90289230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).