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

C21H25FN6 — CID 46887824

IUPAC7-benzyl-5-(4-fluoropiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
SMILESNc1[nH]nc2nc(N3CCC(F)CC3)c3c(c12)CCN(Cc1ccccc1)C3
InChIInChI=1S/C21H25FN6/c22-15-6-10-28(11-7-15)21-17-13-27(12-14-4-2-1-3-5-14)9-8-16(17)18-19(23)25-26-20(18)24-21/h1-5,15H,6-13H2,(H3,23,24,25,26)
InChIKeyUMVHTJBYCVSGRZ-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.04
Rot. Bonds3

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

7-benzyl-5-(4-fluoropiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine (PubChem CID 46887824) has the molecular formula C21H25FN6 and a molecular weight of 380.47 g/mol. Its IUPAC name is 7-benzyl-5-(4-fluoropiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine.

Molecular Properties

Compound Name7-benzyl-5-(4-fluoropiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
PubChem CID46887824
Molecular FormulaC21H25FN6
Molecular Weight380.47 g/mol
Exact Mass380.21
IUPAC Name7-benzyl-5-(4-fluoropiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
SMILESNc1[nH]nc2nc(N3CCC(F)CC3)c3c(c12)CCN(Cc1ccccc1)C3
InChIInChI=1S/C21H25FN6/c22-15-6-10-28(11-7-15)21-17-13-27(12-14-4-2-1-3-5-14)9-8-16(17)18-19(23)25-26-20(18)24-21/h1-5,15H,6-13H2,(H3,23,24,25,26)
InChIKeyUMVHTJBYCVSGRZ-UHFFFAOYSA-N
XLogP3.04
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-5-(4-fluoropiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
The IUPAC name of 7-benzyl-5-(4-fluoropiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine (CID 46887824) is 7-benzyl-5-(4-fluoropiperidin-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-fluoropiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
The canonical SMILES for 7-benzyl-5-(4-fluoropiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine is Nc1[nH]nc2nc(N3CCC(F)CC3)c3c(c12)CCN(Cc1ccccc1)C3.
What is the InChIKey of 7-benzyl-5-(4-fluoropiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
The InChIKey is UMVHTJBYCVSGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6/c22-15-6-10-28(11-7-15)21-17-13-27(12-14-4-2-1-3-5-14)9-8-16(17)18-19(23)25-26-20(18)24-21/h1-5,15H,6-13H2,(H3,23,24,25,26).
What are the key properties of 7-benzyl-5-(4-fluoropiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
7-benzyl-5-(4-fluoropiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine has a molecular weight of 380.47 g/mol, XLogP of 3.04, 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-fluoropiperidin-1-yl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine is sourced from PubChem (CID 46887824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).