2-chloro-7-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]-1,5-naphthyridine

C16H13ClN6 — CID 90288699

IUPAC2-chloro-7-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]-1,5-naphthyridine
SMILESCn1cc(-c2nn(C)cc2-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C16H13ClN6/c1-22-8-11(7-19-22)16-12(9-23(2)21-16)10-5-14-13(18-6-10)3-4-15(17)20-14/h3-9H,1-2H3
InChIKeyZTJIACWFGCMDGP-UHFFFAOYSA-N
MW324.78 g/mol
LogP3.08
Rot. Bonds2

About 2-chloro-7-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]-1,5-naphthyridine

2-chloro-7-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90288699) has the molecular formula C16H13ClN6 and a molecular weight of 324.78 g/mol. Its IUPAC name is 2-chloro-7-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]-1,5-naphthyridine
PubChem CID90288699
Molecular FormulaC16H13ClN6
Molecular Weight324.78 g/mol
Exact Mass324.09
IUPAC Name2-chloro-7-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]-1,5-naphthyridine
SMILESCn1cc(-c2nn(C)cc2-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C16H13ClN6/c1-22-8-11(7-19-22)16-12(9-23(2)21-16)10-5-14-13(18-6-10)3-4-15(17)20-14/h3-9H,1-2H3
InChIKeyZTJIACWFGCMDGP-UHFFFAOYSA-N
XLogP3.08
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.78
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]-1,5-naphthyridine (CID 90288699) is 2-chloro-7-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]-1,5-naphthyridine is Cn1cc(-c2nn(C)cc2-c2cnc3ccc(Cl)nc3c2)cn1.
What is the InChIKey of 2-chloro-7-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is ZTJIACWFGCMDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN6/c1-22-8-11(7-19-22)16-12(9-23(2)21-16)10-5-14-13(18-6-10)3-4-15(17)20-14/h3-9H,1-2H3.
What are the key properties of 2-chloro-7-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 324.78 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90288699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).