6-spiro[7,8-dihydro-1H-pyrano[2,3-f]benzimidazole-6,4'-piperidine]-1'-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C25H26N4O — CID 19045357

IUPAC6-spiro[7,8-dihydro-1H-pyrano[2,3-f]benzimidazole-6,4'-piperidine]-1'-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCC(N1CCC3(CCc4cc5[nH]cnc5cc4O3)CC1)C2
InChIInChI=1S/C25H26N4O/c26-15-17-1-2-19-12-21(4-3-18(19)11-17)29-9-7-25(8-10-29)6-5-20-13-22-23(28-16-27-22)14-24(20)30-25/h1-2,11,13-14,16,21H,3-10,12H2,(H,27,28)
InChIKeyUBPJWQAOROAVQG-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.15
Rot. Bonds1

About 6-spiro[7,8-dihydro-1H-pyrano[2,3-f]benzimidazole-6,4'-piperidine]-1'-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

6-spiro[7,8-dihydro-1H-pyrano[2,3-f]benzimidazole-6,4'-piperidine]-1'-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 19045357) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 6-spiro[7,8-dihydro-1H-pyrano[2,3-f]benzimidazole-6,4'-piperidine]-1'-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-spiro[7,8-dihydro-1H-pyrano[2,3-f]benzimidazole-6,4'-piperidine]-1'-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID19045357
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name6-spiro[7,8-dihydro-1H-pyrano[2,3-f]benzimidazole-6,4'-piperidine]-1'-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCC(N1CCC3(CCc4cc5[nH]cnc5cc4O3)CC1)C2
InChIInChI=1S/C25H26N4O/c26-15-17-1-2-19-12-21(4-3-18(19)11-17)29-9-7-25(8-10-29)6-5-20-13-22-23(28-16-27-22)14-24(20)30-25/h1-2,11,13-14,16,21H,3-10,12H2,(H,27,28)
InChIKeyUBPJWQAOROAVQG-UHFFFAOYSA-N
XLogP4.15
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-spiro[7,8-dihydro-1H-pyrano[2,3-f]benzimidazole-6,4'-piperidine]-1'-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile 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 6-spiro[7,8-dihydro-1H-pyrano[2,3-f]benzimidazole-6,4'-piperidine]-1'-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 6-spiro[7,8-dihydro-1H-pyrano[2,3-f]benzimidazole-6,4'-piperidine]-1'-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 19045357) is 6-spiro[7,8-dihydro-1H-pyrano[2,3-f]benzimidazole-6,4'-piperidine]-1'-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 6-spiro[7,8-dihydro-1H-pyrano[2,3-f]benzimidazole-6,4'-piperidine]-1'-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 6-spiro[7,8-dihydro-1H-pyrano[2,3-f]benzimidazole-6,4'-piperidine]-1'-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is N#Cc1ccc2c(c1)CCC(N1CCC3(CCc4cc5[nH]cnc5cc4O3)CC1)C2.
What is the InChIKey of 6-spiro[7,8-dihydro-1H-pyrano[2,3-f]benzimidazole-6,4'-piperidine]-1'-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is UBPJWQAOROAVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c26-15-17-1-2-19-12-21(4-3-18(19)11-17)29-9-7-25(8-10-29)6-5-20-13-22-23(28-16-27-22)14-24(20)30-25/h1-2,11,13-14,16,21H,3-10,12H2,(H,27,28).
What are the key properties of 6-spiro[7,8-dihydro-1H-pyrano[2,3-f]benzimidazole-6,4'-piperidine]-1'-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
6-spiro[7,8-dihydro-1H-pyrano[2,3-f]benzimidazole-6,4'-piperidine]-1'-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 398.51 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-spiro[7,8-dihydro-1H-pyrano[2,3-f]benzimidazole-6,4'-piperidine]-1'-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 19045357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).