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

C20H24N6 — CID 46887765

IUPAC7-benzyl-5-pyrrolidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
SMILESNc1[nH]nc2nc(N3CCCC3)c3c(c12)CCN(Cc1ccccc1)C3
InChIInChI=1S/C20H24N6/c21-18-17-15-8-11-25(12-14-6-2-1-3-7-14)13-16(15)20(22-19(17)24-23-18)26-9-4-5-10-26/h1-3,6-7H,4-5,8-13H2,(H3,21,22,23,24)
InChIKeyLDIBYHVHPKHRLT-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.70
Rot. Bonds3

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

7-benzyl-5-pyrrolidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine (PubChem CID 46887765) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 7-benzyl-5-pyrrolidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine.

Molecular Properties

Compound Name7-benzyl-5-pyrrolidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
PubChem CID46887765
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name7-benzyl-5-pyrrolidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
SMILESNc1[nH]nc2nc(N3CCCC3)c3c(c12)CCN(Cc1ccccc1)C3
InChIInChI=1S/C20H24N6/c21-18-17-15-8-11-25(12-14-6-2-1-3-7-14)13-16(15)20(22-19(17)24-23-18)26-9-4-5-10-26/h1-3,6-7H,4-5,8-13H2,(H3,21,22,23,24)
InChIKeyLDIBYHVHPKHRLT-UHFFFAOYSA-N
XLogP2.70
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-5-pyrrolidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
The IUPAC name of 7-benzyl-5-pyrrolidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine (CID 46887765) is 7-benzyl-5-pyrrolidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine.
What is the SMILES notation for 7-benzyl-5-pyrrolidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
The canonical SMILES for 7-benzyl-5-pyrrolidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine is Nc1[nH]nc2nc(N3CCCC3)c3c(c12)CCN(Cc1ccccc1)C3.
What is the InChIKey of 7-benzyl-5-pyrrolidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
The InChIKey is LDIBYHVHPKHRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c21-18-17-15-8-11-25(12-14-6-2-1-3-7-14)13-16(15)20(22-19(17)24-23-18)26-9-4-5-10-26/h1-3,6-7H,4-5,8-13H2,(H3,21,22,23,24).
What are the key properties of 7-benzyl-5-pyrrolidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
7-benzyl-5-pyrrolidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine has a molecular weight of 348.45 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-5-pyrrolidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine is sourced from PubChem (CID 46887765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).