[7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol

C22H25ClN2O2S — CID 138610055

IUPAC[7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol
SMILESCNC1CCC(Oc2c(C)cc(Cl)cc2-c2ccnc3cc(CO)sc23)CC1
InChIInChI=1S/C22H25ClN2O2S/c1-13-9-14(23)10-19(21(13)27-16-5-3-15(24-2)4-6-16)18-7-8-25-20-11-17(12-26)28-22(18)20/h7-11,15-16,24,26H,3-6,12H2,1-2H3
InChIKeyNAZDZQCMDIEWSP-UHFFFAOYSA-N
MW416.97 g/mol
LogP5.33
Rot. Bonds5

About [7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol

[7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol (PubChem CID 138610055) has the molecular formula C22H25ClN2O2S and a molecular weight of 416.97 g/mol. Its IUPAC name is [7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol
PubChem CID138610055
Molecular FormulaC22H25ClN2O2S
Molecular Weight416.97 g/mol
Exact Mass416.13
IUPAC Name[7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol
SMILESCNC1CCC(Oc2c(C)cc(Cl)cc2-c2ccnc3cc(CO)sc23)CC1
InChIInChI=1S/C22H25ClN2O2S/c1-13-9-14(23)10-19(21(13)27-16-5-3-15(24-2)4-6-16)18-7-8-25-20-11-17(12-26)28-22(18)20/h7-11,15-16,24,26H,3-6,12H2,1-2H3
InChIKeyNAZDZQCMDIEWSP-UHFFFAOYSA-N
XLogP5.33
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.97
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol 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 [7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol?
The IUPAC name of [7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol (CID 138610055) is [7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol.
What is the SMILES notation for [7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol?
The canonical SMILES for [7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol is CNC1CCC(Oc2c(C)cc(Cl)cc2-c2ccnc3cc(CO)sc23)CC1.
What is the InChIKey of [7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol?
The InChIKey is NAZDZQCMDIEWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2S/c1-13-9-14(23)10-19(21(13)27-16-5-3-15(24-2)4-6-16)18-7-8-25-20-11-17(12-26)28-22(18)20/h7-11,15-16,24,26H,3-6,12H2,1-2H3.
What are the key properties of [7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol?
[7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol has a molecular weight of 416.97 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol is sourced from PubChem (CID 138610055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).