N-(1,3-dimethylpyrazolo[5,4-b][1,8]naphthyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride

C16H23ClN6 — CID 90678243

IUPACN-(1,3-dimethylpyrazolo[5,4-b][1,8]naphthyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
SMILESCc1nn(C)c2nc3ncccc3c(NCCCN(C)C)c12.Cl
InChIInChI=1S/C16H22N6.ClH/c1-11-13-14(17-9-6-10-21(2)3)12-7-5-8-18-15(12)19-16(13)22(4)20-11;/h5,7-8H,6,9-10H2,1-4H3,(H,17,18,19);1H
InChIKeyWCRJRDJEFMRPFB-UHFFFAOYSA-N
MW334.86 g/mol
LogP2.61
Rot. Bonds5

About N-(1,3-dimethylpyrazolo[5,4-b][1,8]naphthyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride

N-(1,3-dimethylpyrazolo[5,4-b][1,8]naphthyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride (PubChem CID 90678243) has the molecular formula C16H23ClN6 and a molecular weight of 334.86 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b][1,8]naphthyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b][1,8]naphthyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
PubChem CID90678243
Molecular FormulaC16H23ClN6
Molecular Weight334.86 g/mol
Exact Mass334.17
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b][1,8]naphthyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
SMILESCc1nn(C)c2nc3ncccc3c(NCCCN(C)C)c12.Cl
InChIInChI=1S/C16H22N6.ClH/c1-11-13-14(17-9-6-10-21(2)3)12-7-5-8-18-15(12)19-16(13)22(4)20-11;/h5,7-8H,6,9-10H2,1-4H3,(H,17,18,19);1H
InChIKeyWCRJRDJEFMRPFB-UHFFFAOYSA-N
XLogP2.61
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.86
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b][1,8]naphthyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b][1,8]naphthyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride (CID 90678243) is N-(1,3-dimethylpyrazolo[5,4-b][1,8]naphthyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b][1,8]naphthyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b][1,8]naphthyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride is Cc1nn(C)c2nc3ncccc3c(NCCCN(C)C)c12.Cl.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b][1,8]naphthyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
The InChIKey is WCRJRDJEFMRPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6.ClH/c1-11-13-14(17-9-6-10-21(2)3)12-7-5-8-18-15(12)19-16(13)22(4)20-11;/h5,7-8H,6,9-10H2,1-4H3,(H,17,18,19);1H.
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b][1,8]naphthyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
N-(1,3-dimethylpyrazolo[5,4-b][1,8]naphthyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride has a molecular weight of 334.86 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[5,4-b][1,8]naphthyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 90678243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).