4-chloro-2-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1,8-naphthyridine

C15H15ClN4 — CID 11841028

IUPAC4-chloro-2-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1,8-naphthyridine
SMILESCc1ccc2c(Cl)c(C)c(-n3nc(C)cc3C)nc2n1
InChIInChI=1S/C15H15ClN4/c1-8-5-6-12-13(16)11(4)15(18-14(12)17-8)20-10(3)7-9(2)19-20/h5-7H,1-4H3
InChIKeyXOFGSUYJMWCMHG-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.70
Rot. Bonds1

About 4-chloro-2-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1,8-naphthyridine

4-chloro-2-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1,8-naphthyridine (PubChem CID 11841028) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 4-chloro-2-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1,8-naphthyridine.

Molecular Properties

Compound Name4-chloro-2-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1,8-naphthyridine
PubChem CID11841028
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name4-chloro-2-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1,8-naphthyridine
SMILESCc1ccc2c(Cl)c(C)c(-n3nc(C)cc3C)nc2n1
InChIInChI=1S/C15H15ClN4/c1-8-5-6-12-13(16)11(4)15(18-14(12)17-8)20-10(3)7-9(2)19-20/h5-7H,1-4H3
InChIKeyXOFGSUYJMWCMHG-UHFFFAOYSA-N
XLogP3.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1,8-naphthyridine?
The IUPAC name of 4-chloro-2-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1,8-naphthyridine (CID 11841028) is 4-chloro-2-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1,8-naphthyridine.
What is the SMILES notation for 4-chloro-2-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1,8-naphthyridine?
The canonical SMILES for 4-chloro-2-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1,8-naphthyridine is Cc1ccc2c(Cl)c(C)c(-n3nc(C)cc3C)nc2n1.
What is the InChIKey of 4-chloro-2-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1,8-naphthyridine?
The InChIKey is XOFGSUYJMWCMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-8-5-6-12-13(16)11(4)15(18-14(12)17-8)20-10(3)7-9(2)19-20/h5-7H,1-4H3.
What are the key properties of 4-chloro-2-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1,8-naphthyridine?
4-chloro-2-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1,8-naphthyridine has a molecular weight of 286.77 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1,8-naphthyridine is sourced from PubChem (CID 11841028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).