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

C22H28N6 — CID 46887768

IUPAC7-benzyl-5-(4-methylpiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
SMILESCC1CCN(c2nc3n[nH]c(N)c3c3c2CN(Cc2ccccc2)CC3)CC1
InChIInChI=1S/C22H28N6/c1-15-7-11-28(12-8-15)22-18-14-27(13-16-5-3-2-4-6-16)10-9-17(18)19-20(23)25-26-21(19)24-22/h2-6,15H,7-14H2,1H3,(H3,23,24,25,26)
InChIKeyLFMDMGSQINGLBB-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.33
Rot. Bonds3

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

7-benzyl-5-(4-methylpiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine (PubChem CID 46887768) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is 7-benzyl-5-(4-methylpiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine.

Molecular Properties

Compound Name7-benzyl-5-(4-methylpiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
PubChem CID46887768
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name7-benzyl-5-(4-methylpiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
SMILESCC1CCN(c2nc3n[nH]c(N)c3c3c2CN(Cc2ccccc2)CC3)CC1
InChIInChI=1S/C22H28N6/c1-15-7-11-28(12-8-15)22-18-14-27(13-16-5-3-2-4-6-16)10-9-17(18)19-20(23)25-26-21(19)24-22/h2-6,15H,7-14H2,1H3,(H3,23,24,25,26)
InChIKeyLFMDMGSQINGLBB-UHFFFAOYSA-N
XLogP3.33
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 821854
1,2,4-Triazolo(3,4-a)phthalazine, 3-phenyl-6-(1-piperidinyl)-
CID 3071196
5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 6539528
1,2,4-Triazolo(3,4-a)phthalazine, 6-(4-methyl-1-piperazinyl)-3-phenyl-
CID 3071197
5-N,7-dibenzyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
CID 657456
(5-Cyclopropyl-2H-pyrazol-3-yl)-[2-(4-methylpiperidin-1-yl)-quinazolin-4-yl]-amine
CID 21939235
N-(2-cyclohexyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 59412164
5-(5-Fluoro-2-Methylphenyl)-6,7,8,9-Tetrahydro-3h-Pyrazolo[3,4-C]isoquinolin-1-Amine
CID 53497554
6-(3,4-Dihydroisoquinolin-2(1h)-Yl)-3-Methyl-[1,2,4]triazolo[3,4-A]phthalazine
CID 18524077
3,6-diamino-4-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 395921
4-(4-Benzylpiperazin-1-yl)-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
CID 665898
2,8,10-Trimethyl-4-(4-(o-tolyl)piperazin-1-yl)pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
CID 666069

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-5-(4-methylpiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
The IUPAC name of 7-benzyl-5-(4-methylpiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine (CID 46887768) is 7-benzyl-5-(4-methylpiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine.
What is the SMILES notation for 7-benzyl-5-(4-methylpiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
The canonical SMILES for 7-benzyl-5-(4-methylpiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine is CC1CCN(c2nc3n[nH]c(N)c3c3c2CN(Cc2ccccc2)CC3)CC1.
What is the InChIKey of 7-benzyl-5-(4-methylpiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
The InChIKey is LFMDMGSQINGLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-15-7-11-28(12-8-15)22-18-14-27(13-16-5-3-2-4-6-16)10-9-17(18)19-20(23)25-26-21(19)24-22/h2-6,15H,7-14H2,1H3,(H3,23,24,25,26).
What are the key properties of 7-benzyl-5-(4-methylpiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
7-benzyl-5-(4-methylpiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine has a molecular weight of 376.51 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-5-(4-methylpiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine is sourced from PubChem (CID 46887768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).