ethyl 15-amino-14-cyano-13-(4-methoxyphenyl)-4,6-dimethyl-2-oxo-9-thia-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6,11,14-pentaene-12-carboxylate

C25H24N4O4S — CID 23769877

IUPACethyl 15-amino-14-cyano-13-(4-methoxyphenyl)-4,6-dimethyl-2-oxo-9-thia-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6,11,14-pentaene-12-carboxylate
SMILESCCOC(=O)C1=C2CSc3nc(C)cc(C)c3C(=O)N2C(N)=C(C#N)C1c1ccc(OC)cc1
InChIInChI=1S/C25H24N4O4S/c1-5-33-25(31)21-18-12-34-23-19(13(2)10-14(3)28-23)24(30)29(18)22(27)17(11-26)20(21)15-6-8-16(32-4)9-7-15/h6-10,20H,5,12,27H2,1-4H3
InChIKeyKYOKXWXFGITZAL-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.56
Rot. Bonds4

About ethyl 15-amino-14-cyano-13-(4-methoxyphenyl)-4,6-dimethyl-2-oxo-9-thia-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6,11,14-pentaene-12-carboxylate

ethyl 15-amino-14-cyano-13-(4-methoxyphenyl)-4,6-dimethyl-2-oxo-9-thia-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6,11,14-pentaene-12-carboxylate (PubChem CID 23769877) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is ethyl 15-amino-14-cyano-13-(4-methoxyphenyl)-4,6-dimethyl-2-oxo-9-thia-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6,11,14-pentaene-12-carboxylate.

Molecular Properties

Compound Nameethyl 15-amino-14-cyano-13-(4-methoxyphenyl)-4,6-dimethyl-2-oxo-9-thia-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6,11,14-pentaene-12-carboxylate
PubChem CID23769877
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Nameethyl 15-amino-14-cyano-13-(4-methoxyphenyl)-4,6-dimethyl-2-oxo-9-thia-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6,11,14-pentaene-12-carboxylate
SMILESCCOC(=O)C1=C2CSc3nc(C)cc(C)c3C(=O)N2C(N)=C(C#N)C1c1ccc(OC)cc1
InChIInChI=1S/C25H24N4O4S/c1-5-33-25(31)21-18-12-34-23-19(13(2)10-14(3)28-23)24(30)29(18)22(27)17(11-26)20(21)15-6-8-16(32-4)9-7-15/h6-10,20H,5,12,27H2,1-4H3
InChIKeyKYOKXWXFGITZAL-UHFFFAOYSA-N
XLogP3.56
TPSA118.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 15-amino-14-cyano-13-(4-methoxyphenyl)-4,6-dimethyl-2-oxo-9-thia-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6,11,14-pentaene-12-carboxylate 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

ethyl 15-amino-13-(4-chlorophenyl)-14-cyano-2-oxo-6-thiophen-2-yl-9-thia-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6,11,14-pentaene-12-carboxylate
CID 23991543
propan-2-yl 15-amino-13-(4-bromophenyl)-14-cyano-4,5,6-trimethyl-2-oxo-9-thia-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6,11,14-pentaene-12-carboxylate
CID 23825196
diethyl 6-amino-5-cyano-1,4-bis(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate
CID 137332333
ethyl (2S,7S)-5-amino-6-cyano-2-(2-methoxy-2-oxoethyl)-7-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
CID 2720439
diethyl 6-amino-4-(4-bromophenyl)-5-cyano-1-(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate
CID 137332329
ethyl 9-amino-6-cyano-7-(4-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate
CID 17273371
ethyl 6-amino-5-cyano-4-[4-(4-methoxybenzoyl)oxyphenyl]-2-methyl-4H-pyran-3-carboxylate
CID 169391798
(7S)-5-amino-7-(4-chlorophenyl)-6-cyano-N-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
CID 2090135
ethyl 9-amino-6-cyano-7-(3-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate
CID 17273373
diethyl (2R,7S)-5-amino-7-(4-methoxyphenyl)-2-methyl-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
CID 41177720
2-amino-4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4006061
methyl 2-[(2S,7R)-5-amino-6-cyano-8-[(3,4-dimethylphenyl)carbamoyl]-7-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate
CID 2720446

Frequently Asked Questions

What is the IUPAC name of ethyl 15-amino-14-cyano-13-(4-methoxyphenyl)-4,6-dimethyl-2-oxo-9-thia-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6,11,14-pentaene-12-carboxylate?
The IUPAC name of ethyl 15-amino-14-cyano-13-(4-methoxyphenyl)-4,6-dimethyl-2-oxo-9-thia-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6,11,14-pentaene-12-carboxylate (CID 23769877) is ethyl 15-amino-14-cyano-13-(4-methoxyphenyl)-4,6-dimethyl-2-oxo-9-thia-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6,11,14-pentaene-12-carboxylate.
What is the SMILES notation for ethyl 15-amino-14-cyano-13-(4-methoxyphenyl)-4,6-dimethyl-2-oxo-9-thia-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6,11,14-pentaene-12-carboxylate?
The canonical SMILES for ethyl 15-amino-14-cyano-13-(4-methoxyphenyl)-4,6-dimethyl-2-oxo-9-thia-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6,11,14-pentaene-12-carboxylate is CCOC(=O)C1=C2CSc3nc(C)cc(C)c3C(=O)N2C(N)=C(C#N)C1c1ccc(OC)cc1.
What is the InChIKey of ethyl 15-amino-14-cyano-13-(4-methoxyphenyl)-4,6-dimethyl-2-oxo-9-thia-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6,11,14-pentaene-12-carboxylate?
The InChIKey is KYOKXWXFGITZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-5-33-25(31)21-18-12-34-23-19(13(2)10-14(3)28-23)24(30)29(18)22(27)17(11-26)20(21)15-6-8-16(32-4)9-7-15/h6-10,20H,5,12,27H2,1-4H3.
What are the key properties of ethyl 15-amino-14-cyano-13-(4-methoxyphenyl)-4,6-dimethyl-2-oxo-9-thia-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6,11,14-pentaene-12-carboxylate?
ethyl 15-amino-14-cyano-13-(4-methoxyphenyl)-4,6-dimethyl-2-oxo-9-thia-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6,11,14-pentaene-12-carboxylate has a molecular weight of 476.56 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 15-amino-14-cyano-13-(4-methoxyphenyl)-4,6-dimethyl-2-oxo-9-thia-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6,11,14-pentaene-12-carboxylate is sourced from PubChem (CID 23769877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).