CID 71276446

C23H27N3OS — CID 71276446

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(C3CC3)cc1C21N=C(N)c2nc(C)sc21
InChIInChI=1S/C23H27N3OS/c1-13-25-19-20(28-13)23(26-21(19)24)18-11-15(14-3-4-14)5-6-16(18)12-22(23)9-7-17(27-2)8-10-22/h5-6,11,14,17H,3-4,7-10,12H2,1-2H3,(H2,24,26)
InChIKeyLXJORFAUQZTSPL-UHFFFAOYSA-N
MW393.56 g/mol
LogP4.42
Rot. Bonds2

About CID 71276446

CID 71276446 (PubChem CID 71276446) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol.

Molecular Properties

Compound NameCID 71276446
PubChem CID71276446
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(C3CC3)cc1C21N=C(N)c2nc(C)sc21
InChIInChI=1S/C23H27N3OS/c1-13-25-19-20(28-13)23(26-21(19)24)18-11-15(14-3-4-14)5-6-16(18)12-22(23)9-7-17(27-2)8-10-22/h5-6,11,14,17H,3-4,7-10,12H2,1-2H3,(H2,24,26)
InChIKeyLXJORFAUQZTSPL-UHFFFAOYSA-N
XLogP4.42
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze CID 71276446 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

CID 123961266
CID 123961266
CID 70219177
CID 70219177
US9212153, 521a,Ex. 415
CID 58197024
CID 118592465
CID 118592465
CID 70219085
CID 70219085
1-amino-N-[amino(iodo)methyl]-6-cyclopropyl-4'-methoxy-N-methylspiro[3H-indene-2,1'-cyclohexane]-1-carboxamide
CID 70218981
CID 146047196
CID 146047196
CID 58197110
CID 58197110
CID 58197369
CID 58197369
CID 53375145
CID 53375145
CID 71274547
CID 71274547
6'-Bromo-4''-fluoro-4-methoxy-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-pyrrol]-5''-amine
CID 118597098

Frequently Asked Questions

What is the IUPAC name of CID 71276446?
The IUPAC name of CID 71276446 (CID 71276446) is not available.
What is the SMILES notation for CID 71276446?
The canonical SMILES for CID 71276446 is COC1CCC2(CC1)Cc1ccc(C3CC3)cc1C21N=C(N)c2nc(C)sc21.
What is the InChIKey of CID 71276446?
The InChIKey is LXJORFAUQZTSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-13-25-19-20(28-13)23(26-21(19)24)18-11-15(14-3-4-14)5-6-16(18)12-22(23)9-7-17(27-2)8-10-22/h5-6,11,14,17H,3-4,7-10,12H2,1-2H3,(H2,24,26).
What are the key properties of CID 71276446?
CID 71276446 has a molecular weight of 393.56 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71276446 is sourced from PubChem (CID 71276446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).