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

C24H30N6O — CID 46887981

IUPACN-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-1-yl)propanamide
SMILESCCC(=O)Nc1n[nH]c2nc(N3CCCCC3)c3c(c12)CCN(Cc1ccccc1)C3
InChIInChI=1S/C24H30N6O/c1-2-20(31)25-22-21-18-11-14-29(15-17-9-5-3-6-10-17)16-19(18)24(26-23(21)28-27-22)30-12-7-4-8-13-30/h3,5-6,9-10H,2,4,7-8,11-16H2,1H3,(H2,25,26,27,28,31)
InChIKeyDIDFCPKJAIBIBS-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.86
Rot. Bonds5

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

N-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-1-yl)propanamide (PubChem CID 46887981) has the molecular formula C24H30N6O and a molecular weight of 418.55 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)propanamide.

Molecular Properties

Compound NameN-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-1-yl)propanamide
PubChem CID46887981
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC NameN-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-1-yl)propanamide
SMILESCCC(=O)Nc1n[nH]c2nc(N3CCCCC3)c3c(c12)CCN(Cc1ccccc1)C3
InChIInChI=1S/C24H30N6O/c1-2-20(31)25-22-21-18-11-14-29(15-17-9-5-3-6-10-17)16-19(18)24(26-23(21)28-27-22)30-12-7-4-8-13-30/h3,5-6,9-10H,2,4,7-8,11-16H2,1H3,(H2,25,26,27,28,31)
InChIKeyDIDFCPKJAIBIBS-UHFFFAOYSA-N
XLogP3.86
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.86
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)propanamide?
The IUPAC name of N-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-1-yl)propanamide (CID 46887981) is N-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-1-yl)propanamide.
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)propanamide?
The canonical SMILES for N-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-1-yl)propanamide is CCC(=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)propanamide?
The InChIKey is DIDFCPKJAIBIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-2-20(31)25-22-21-18-11-14-29(15-17-9-5-3-6-10-17)16-19(18)24(26-23(21)28-27-22)30-12-7-4-8-13-30/h3,5-6,9-10H,2,4,7-8,11-16H2,1H3,(H2,25,26,27,28,31).
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)propanamide?
N-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-1-yl)propanamide has a molecular weight of 418.55 g/mol, XLogP of 3.86, 5 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)propanamide is sourced from PubChem (CID 46887981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).