1-bromo-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine;hydrochloride

C9H10BrClN4 — CID 173071261

IUPAC1-bromo-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine;hydrochloride
SMILESBrc1[nH]nc2ncc3c(c12)CCNC3.Cl
InChIInChI=1S/C9H9BrN4.ClH/c10-8-7-6-1-2-11-3-5(6)4-12-9(7)14-13-8;/h4,11H,1-3H2,(H,12,13,14);1H
InChIKeyZSWPFIHWDAREPM-UHFFFAOYSA-N
MW289.56 g/mol
LogP1.79
Rot. Bonds

About 1-bromo-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine;hydrochloride

1-bromo-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine;hydrochloride (PubChem CID 173071261) has the molecular formula C9H10BrClN4 and a molecular weight of 289.56 g/mol. Its IUPAC name is 1-bromo-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine;hydrochloride.

Molecular Properties

Compound Name1-bromo-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine;hydrochloride
PubChem CID173071261
Molecular FormulaC9H10BrClN4
Molecular Weight289.56 g/mol
Exact Mass287.98
IUPAC Name1-bromo-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine;hydrochloride
SMILESBrc1[nH]nc2ncc3c(c12)CCNC3.Cl
InChIInChI=1S/C9H9BrN4.ClH/c10-8-7-6-1-2-11-3-5(6)4-12-9(7)14-13-8;/h4,11H,1-3H2,(H,12,13,14);1H
InChIKeyZSWPFIHWDAREPM-UHFFFAOYSA-N
XLogP1.79
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.56
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7-tetraene
CID 90776952
6,7,8,9-tetrahydro-[1,2,5]thiadiazolo[3,4-c][2,7]naphthyridine
CID 96624150
7-bromo-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride
CID 139035179
3-amino-7,8,9,10-tetrahydro-2H-pyrimido[4,5-c][2,7]naphthyridin-1-one
CID 135818395
1-(1-bromo-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-chloro-2-phenylethanone
CID 59490349
6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-yl 2,2,2-trifluoroacetate
CID 67426076
5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one;hydrochloride
CID 71743924
N-[3-(6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridin-1-yl)phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 171927683
3-amino-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile;dihydrochloride
CID 155822296
16-bromo-8-phenyl-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaene
CID 59490594
bis(3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine);dihydrochloride
CID 154804713
8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[c][2,7]naphthyridine
CID 83528569

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine;hydrochloride?
The IUPAC name of 1-bromo-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine;hydrochloride (CID 173071261) is 1-bromo-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine;hydrochloride.
What is the SMILES notation for 1-bromo-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine;hydrochloride?
The canonical SMILES for 1-bromo-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine;hydrochloride is Brc1[nH]nc2ncc3c(c12)CCNC3.Cl.
What is the InChIKey of 1-bromo-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine;hydrochloride?
The InChIKey is ZSWPFIHWDAREPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4.ClH/c10-8-7-6-1-2-11-3-5(6)4-12-9(7)14-13-8;/h4,11H,1-3H2,(H,12,13,14);1H.
What are the key properties of 1-bromo-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine;hydrochloride?
1-bromo-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine;hydrochloride has a molecular weight of 289.56 g/mol, XLogP of 1.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine;hydrochloride is sourced from PubChem (CID 173071261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).