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

C21H26N6 — CID 171987424

IUPAC7-benzyl-1-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-5-amine
SMILESNc1nc2[nH]nc(N3CCCCC3)c2c2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C21H26N6/c22-19-17-14-26(13-15-7-3-1-4-8-15)12-9-16(17)18-20(23-19)24-25-21(18)27-10-5-2-6-11-27/h1,3-4,7-8H,2,5-6,9-14H2,(H3,22,23,24,25)
InChIKeyWSECFXBCLSSOFQ-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.09
Rot. Bonds3

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

7-benzyl-1-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-5-amine (PubChem CID 171987424) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 7-benzyl-1-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-5-amine.

Molecular Properties

Compound Name7-benzyl-1-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-5-amine
PubChem CID171987424
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name7-benzyl-1-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-5-amine
SMILESNc1nc2[nH]nc(N3CCCCC3)c2c2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C21H26N6/c22-19-17-14-26(13-15-7-3-1-4-8-15)12-9-16(17)18-20(23-19)24-25-21(18)27-10-5-2-6-11-27/h1,3-4,7-8H,2,5-6,9-14H2,(H3,22,23,24,25)
InChIKeyWSECFXBCLSSOFQ-UHFFFAOYSA-N
XLogP3.09
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-5-amine?
The IUPAC name of 7-benzyl-1-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-5-amine (CID 171987424) is 7-benzyl-1-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-5-amine.
What is the SMILES notation for 7-benzyl-1-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-5-amine?
The canonical SMILES for 7-benzyl-1-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-5-amine is Nc1nc2[nH]nc(N3CCCCC3)c2c2c1CN(Cc1ccccc1)CC2.
What is the InChIKey of 7-benzyl-1-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-5-amine?
The InChIKey is WSECFXBCLSSOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c22-19-17-14-26(13-15-7-3-1-4-8-15)12-9-16(17)18-20(23-19)24-25-21(18)27-10-5-2-6-11-27/h1,3-4,7-8H,2,5-6,9-14H2,(H3,22,23,24,25).
What are the key properties of 7-benzyl-1-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-5-amine?
7-benzyl-1-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-5-amine has a molecular weight of 362.48 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-5-amine is sourced from PubChem (CID 171987424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).