CID 87256779

C26H19AsN2O2 — CID 87256779

IUPAC—
SMILESO=c1c(-c2ccc(C3([As])CCC3)cc2)c(-c2ccccc2)oc2c1ccc1[nH]cnc12
InChIInChI=1S/C26H19AsN2O2/c27-26(13-4-14-26)18-9-7-16(8-10-18)21-23(30)19-11-12-20-22(29-15-28-20)25(19)31-24(21)17-5-2-1-3-6-17/h1-3,5-12,15H,4,13-14H2,(H,28,29)
InChIKeyRXCYDPVYQVWAGL-UHFFFAOYSA-N
MW466.37 g/mol
LogP5.55
Rot. Bonds3

About CID 87256779

CID 87256779 (PubChem CID 87256779) has the molecular formula C26H19AsN2O2 and a molecular weight of 466.37 g/mol.

Molecular Properties

Compound NameCID 87256779
PubChem CID87256779
Molecular FormulaC26H19AsN2O2
Molecular Weight466.37 g/mol
Exact Mass466.07
IUPAC Name—
SMILESO=c1c(-c2ccc(C3([As])CCC3)cc2)c(-c2ccccc2)oc2c1ccc1[nH]cnc12
InChIInChI=1S/C26H19AsN2O2/c27-26(13-4-14-26)18-9-7-16(8-10-18)21-23(30)19-11-12-20-22(29-15-28-20)25(19)31-24(21)17-5-2-1-3-6-17/h1-3,5-12,15H,4,13-14H2,(H,28,29)
InChIKeyRXCYDPVYQVWAGL-UHFFFAOYSA-N
XLogP5.55
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.37
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 87256779 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[4-(1-aminocyclobutyl)phenyl]-3-iodo-8-phenyl-2H-pyrano[3,2-g]indazol-6-one
CID 51030518
3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one
CID 67067831
3-[4-(1-aminocyclobutyl)phenyl]-8-(difluoromethoxy)-2-phenylpyrano[2,3-c]pyridin-4-one
CID 51029590
7-[4-(1-aminocyclobutyl)phenyl]-1-methyl-8-phenylpyrano[2,3-e]benzimidazol-6-one
CID 51030517
3-[4-(1-aminocyclobutyl)phenyl]-2-phenyl-8-(1H-pyrazol-4-yl)chromen-4-one;hydrochloride
CID 67067845
tert-butyl N-[1-[4-(8-methoxy-4-oxo-2-phenylpyrano[2,3-c]pyridin-3-yl)phenyl]cyclobutyl]carbamate
CID 67067750
[1-[4-(8-formyl-4-oxo-2-phenylchromen-3-yl)phenyl]cyclobutyl]carbamic acid
CID 154332496
7-[4-[1-[3-[4-(1-aminocyclobutyl)phenyl]-6-fluoro-4-oxo-2-phenylchromen-5-yl]cyclobutyl]phenyl]-3-iodo-8-phenyl-2H-pyrano[3,2-g]indazol-6-one
CID 123227052
tert-butyl N-[1-[4-[3-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-2-phenylpyrano[2,3-c]pyridin-8-yl]phenyl]cyclobutyl]carbamate
CID 86671058
4-[3-[4-(1-aminocyclobutyl)phenyl]-4-oxo-2-phenylchromen-8-yl]piperazin-2-one
CID 51030232
2-[4-(1-aminocyclobutyl)phenyl]-3-phenylfuro[2,3-b]pyridin-5-amine;trihydrochloride
CID 131740571
tert-butyl N-[1-[4-[6-oxo-8-phenyl-1-(2-trimethylsilylethoxymethyl)pyrano[2,3-e]benzimidazol-7-yl]phenyl]cyclobutyl]carbamate
CID 67067791

Frequently Asked Questions

What is the IUPAC name of CID 87256779?
The IUPAC name of CID 87256779 (CID 87256779) is not available.
What is the SMILES notation for CID 87256779?
The canonical SMILES for CID 87256779 is O=c1c(-c2ccc(C3([As])CCC3)cc2)c(-c2ccccc2)oc2c1ccc1[nH]cnc12.
What is the InChIKey of CID 87256779?
The InChIKey is RXCYDPVYQVWAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19AsN2O2/c27-26(13-4-14-26)18-9-7-16(8-10-18)21-23(30)19-11-12-20-22(29-15-28-20)25(19)31-24(21)17-5-2-1-3-6-17/h1-3,5-12,15H,4,13-14H2,(H,28,29).
What are the key properties of CID 87256779?
CID 87256779 has a molecular weight of 466.37 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87256779 is sourced from PubChem (CID 87256779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).