5-N-benzhydryl-7-ethyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine

C24H26N6 — CID 4907977

IUPAC5-N-benzhydryl-7-ethyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
SMILESCCN1CCc2c(c(NC(c3ccccc3)c3ccccc3)nc3n[nH]c(N)c23)C1
InChIInChI=1S/C24H26N6/c1-2-30-14-13-18-19(15-30)23(27-24-20(18)22(25)28-29-24)26-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,21H,2,13-15H2,1H3,(H4,25,26,27,28,29)
InChIKeyZZLDPZOJYPIHCX-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.12
Rot. Bonds5

About 5-N-benzhydryl-7-ethyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine

5-N-benzhydryl-7-ethyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine (PubChem CID 4907977) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is 5-N-benzhydryl-7-ethyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine.

Molecular Properties

Compound Name5-N-benzhydryl-7-ethyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
PubChem CID4907977
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name5-N-benzhydryl-7-ethyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
SMILESCCN1CCc2c(c(NC(c3ccccc3)c3ccccc3)nc3n[nH]c(N)c23)C1
InChIInChI=1S/C24H26N6/c1-2-30-14-13-18-19(15-30)23(27-24-20(18)22(25)28-29-24)26-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,21H,2,13-15H2,1H3,(H4,25,26,27,28,29)
InChIKeyZZLDPZOJYPIHCX-UHFFFAOYSA-N
XLogP4.12
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-benzhydryl-7-ethyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine?
The IUPAC name of 5-N-benzhydryl-7-ethyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine (CID 4907977) is 5-N-benzhydryl-7-ethyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine.
What is the SMILES notation for 5-N-benzhydryl-7-ethyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine?
The canonical SMILES for 5-N-benzhydryl-7-ethyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine is CCN1CCc2c(c(NC(c3ccccc3)c3ccccc3)nc3n[nH]c(N)c23)C1.
What is the InChIKey of 5-N-benzhydryl-7-ethyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine?
The InChIKey is ZZLDPZOJYPIHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6/c1-2-30-14-13-18-19(15-30)23(27-24-20(18)22(25)28-29-24)26-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,21H,2,13-15H2,1H3,(H4,25,26,27,28,29).
What are the key properties of 5-N-benzhydryl-7-ethyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine?
5-N-benzhydryl-7-ethyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine has a molecular weight of 398.51 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzhydryl-7-ethyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine is sourced from PubChem (CID 4907977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).