2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide

C26H32F3N5OS — CID 138671433

IUPAC2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide
SMILESCn1cc2c(C(=O)NC3CCC(CCN4CCc5sc(CCC(F)(F)F)nc5C4)CC3)cccc2n1
InChIInChI=1S/C26H32F3N5OS/c1-33-15-20-19(3-2-4-21(20)32-33)25(35)30-18-7-5-17(6-8-18)10-13-34-14-11-23-22(16-34)31-24(36-23)9-12-26(27,28)29/h2-4,15,17-18H,5-14,16H2,1H3,(H,30,35)
InChIKeyAFUKYYCEJQNSBL-UHFFFAOYSA-N
MW519.64 g/mol
LogP5.26
Rot. Bonds7

About 2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide

2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide (PubChem CID 138671433) has the molecular formula C26H32F3N5OS and a molecular weight of 519.64 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide
PubChem CID138671433
Molecular FormulaC26H32F3N5OS
Molecular Weight519.64 g/mol
Exact Mass519.23
IUPAC Name2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide
SMILESCn1cc2c(C(=O)NC3CCC(CCN4CCc5sc(CCC(F)(F)F)nc5C4)CC3)cccc2n1
InChIInChI=1S/C26H32F3N5OS/c1-33-15-20-19(3-2-4-21(20)32-33)25(35)30-18-7-5-17(6-8-18)10-13-34-14-11-23-22(16-34)31-24(36-23)9-12-26(27,28)29/h2-4,15,17-18H,5-14,16H2,1H3,(H,30,35)
InChIKeyAFUKYYCEJQNSBL-UHFFFAOYSA-N
XLogP5.26
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.64
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide 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 2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide (CID 138671433) is 2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide is Cn1cc2c(C(=O)NC3CCC(CCN4CCc5sc(CCC(F)(F)F)nc5C4)CC3)cccc2n1.
What is the InChIKey of 2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide?
The InChIKey is AFUKYYCEJQNSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N5OS/c1-33-15-20-19(3-2-4-21(20)32-33)25(35)30-18-7-5-17(6-8-18)10-13-34-14-11-23-22(16-34)31-24(36-23)9-12-26(27,28)29/h2-4,15,17-18H,5-14,16H2,1H3,(H,30,35).
What are the key properties of 2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide?
2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide has a molecular weight of 519.64 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide is sourced from PubChem (CID 138671433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).