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

C23H28N6O — CID 46887980

IUPACN-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-1-yl)acetamide
SMILESCC(=O)Nc1n[nH]c2nc(N3CCCCC3)c3c(c12)CCN(Cc1ccccc1)C3
InChIInChI=1S/C23H28N6O/c1-16(30)24-21-20-18-10-13-28(14-17-8-4-2-5-9-17)15-19(18)23(25-22(20)27-26-21)29-11-6-3-7-12-29/h2,4-5,8-9H,3,6-7,10-15H2,1H3,(H2,24,25,26,27,30)
InChIKeyWEIPWMGBTKAMHJ-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.46
Rot. Bonds4

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

N-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-1-yl)acetamide (PubChem CID 46887980) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is N-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-1-yl)acetamide
PubChem CID46887980
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC NameN-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-1-yl)acetamide
SMILESCC(=O)Nc1n[nH]c2nc(N3CCCCC3)c3c(c12)CCN(Cc1ccccc1)C3
InChIInChI=1S/C23H28N6O/c1-16(30)24-21-20-18-10-13-28(14-17-8-4-2-5-9-17)15-19(18)23(25-22(20)27-26-21)29-11-6-3-7-12-29/h2,4-5,8-9H,3,6-7,10-15H2,1H3,(H2,24,25,26,27,30)
InChIKeyWEIPWMGBTKAMHJ-UHFFFAOYSA-N
XLogP3.46
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-1-yl)acetamide?
The IUPAC name of N-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-1-yl)acetamide (CID 46887980) is N-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-1-yl)acetamide.
What is the SMILES notation for N-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-1-yl)acetamide?
The canonical SMILES for N-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-1-yl)acetamide is CC(=O)Nc1n[nH]c2nc(N3CCCCC3)c3c(c12)CCN(Cc1ccccc1)C3.
What is the InChIKey of N-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-1-yl)acetamide?
The InChIKey is WEIPWMGBTKAMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-16(30)24-21-20-18-10-13-28(14-17-8-4-2-5-9-17)15-19(18)23(25-22(20)27-26-21)29-11-6-3-7-12-29/h2,4-5,8-9H,3,6-7,10-15H2,1H3,(H2,24,25,26,27,30).
What are the key properties of N-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-1-yl)acetamide?
N-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-1-yl)acetamide has a molecular weight of 404.52 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-1-yl)acetamide is sourced from PubChem (CID 46887980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).