7-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;hydrochloride

C15H15ClN4 — CID 173071265

IUPAC7-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;hydrochloride
SMILESCl.c1ccc(N2CCc3c(cnc4[nH]ncc34)C2)cc1
InChIInChI=1S/C15H14N4.ClH/c1-2-4-12(5-3-1)19-7-6-13-11(10-19)8-16-15-14(13)9-17-18-15;/h1-5,8-9H,6-7,10H2,(H,16,17,18);1H
InChIKeyRLLLZTUMBFNWBU-UHFFFAOYSA-N
MW286.77 g/mol
LogP2.94
Rot. Bonds1

About 7-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;hydrochloride

7-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;hydrochloride (PubChem CID 173071265) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 7-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;hydrochloride.

Molecular Properties

Compound Name7-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;hydrochloride
PubChem CID173071265
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name7-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;hydrochloride
SMILESCl.c1ccc(N2CCc3c(cnc4[nH]ncc34)C2)cc1
InChIInChI=1S/C15H14N4.ClH/c1-2-4-12(5-3-1)19-7-6-13-11(10-19)8-16-15-14(13)9-17-18-15;/h1-5,8-9H,6-7,10H2,(H,16,17,18);1H
InChIKeyRLLLZTUMBFNWBU-UHFFFAOYSA-N
XLogP2.94
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;hydrochloride?
The IUPAC name of 7-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;hydrochloride (CID 173071265) is 7-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;hydrochloride.
What is the SMILES notation for 7-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;hydrochloride?
The canonical SMILES for 7-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;hydrochloride is Cl.c1ccc(N2CCc3c(cnc4[nH]ncc34)C2)cc1.
What is the InChIKey of 7-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;hydrochloride?
The InChIKey is RLLLZTUMBFNWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4.ClH/c1-2-4-12(5-3-1)19-7-6-13-11(10-19)8-16-15-14(13)9-17-18-15;/h1-5,8-9H,6-7,10H2,(H,16,17,18);1H.
What are the key properties of 7-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;hydrochloride?
7-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;hydrochloride has a molecular weight of 286.77 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;hydrochloride is sourced from PubChem (CID 173071265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).