5-(azocan-1-yl)-7-benzyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine

C23H30N6 — CID 46887767

IUPAC5-(azocan-1-yl)-7-benzyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
SMILESNc1[nH]nc2nc(N3CCCCCCC3)c3c(c12)CCN(Cc1ccccc1)C3
InChIInChI=1S/C23H30N6/c24-21-20-18-11-14-28(15-17-9-5-4-6-10-17)16-19(18)23(25-22(20)27-26-21)29-12-7-2-1-3-8-13-29/h4-6,9-10H,1-3,7-8,11-16H2,(H3,24,25,26,27)
InChIKeyNUKQFQCRMMSKDE-UHFFFAOYSA-N
MW390.54 g/mol
LogP3.87
Rot. Bonds3

About 5-(azocan-1-yl)-7-benzyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine

5-(azocan-1-yl)-7-benzyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine (PubChem CID 46887767) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is 5-(azocan-1-yl)-7-benzyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine.

Molecular Properties

Compound Name5-(azocan-1-yl)-7-benzyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
PubChem CID46887767
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC Name5-(azocan-1-yl)-7-benzyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
SMILESNc1[nH]nc2nc(N3CCCCCCC3)c3c(c12)CCN(Cc1ccccc1)C3
InChIInChI=1S/C23H30N6/c24-21-20-18-11-14-28(15-17-9-5-4-6-10-17)16-19(18)23(25-22(20)27-26-21)29-12-7-2-1-3-8-13-29/h4-6,9-10H,1-3,7-8,11-16H2,(H3,24,25,26,27)
InChIKeyNUKQFQCRMMSKDE-UHFFFAOYSA-N
XLogP3.87
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-benzyl-1-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-5-amine
CID 171987424
7-(2-methylpropyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
CID 46887948
7-(2,2-dimethylpropyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
CID 46887949
7-benzyl-5-morpholin-4-yl-1,6,8,9-tetrahydropyrazolo[4,3-c][2,7]naphthyridin-3-amine
CID 23932990
7-ethyl-5-N-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
CID 4974193
7-benzyl-2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 46953773
5-N-benzhydryl-7-ethyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
CID 4907977
7-benzyl-1-(3,3-dimethylpiperidin-1-yl)-3,6,8,9-tetrahydropyrazolo[5,4-c][1,7]naphthyridin-4-amine
CID 171987321
4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137255
1-(6-benzyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46959523
1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 92565033
1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 110219431

Frequently Asked Questions

What is the IUPAC name of 5-(azocan-1-yl)-7-benzyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
The IUPAC name of 5-(azocan-1-yl)-7-benzyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine (CID 46887767) is 5-(azocan-1-yl)-7-benzyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine.
What is the SMILES notation for 5-(azocan-1-yl)-7-benzyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
The canonical SMILES for 5-(azocan-1-yl)-7-benzyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine is Nc1[nH]nc2nc(N3CCCCCCC3)c3c(c12)CCN(Cc1ccccc1)C3.
What is the InChIKey of 5-(azocan-1-yl)-7-benzyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
The InChIKey is NUKQFQCRMMSKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c24-21-20-18-11-14-28(15-17-9-5-4-6-10-17)16-19(18)23(25-22(20)27-26-21)29-12-7-2-1-3-8-13-29/h4-6,9-10H,1-3,7-8,11-16H2,(H3,24,25,26,27).
What are the key properties of 5-(azocan-1-yl)-7-benzyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
5-(azocan-1-yl)-7-benzyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine has a molecular weight of 390.54 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azocan-1-yl)-7-benzyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine is sourced from PubChem (CID 46887767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).