cis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

C20H17F2N5O2S2 — CID 164520363

IUPACcis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCOc1c(F)c(SC)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)sc3n2)c2cn[nH]c12
InChIInChI=1S/C20H17F2N5O2S2/c1-3-29-16-14(22)17(30-2)13(9-7-23-27-15(9)16)11-4-5-12-19(24-11)31-20(25-12)26-18(28)8-6-10(8)21/h4-5,7-8,10H,3,6H2,1-2H3,(H,23,27)(H,25,26,28)/t8-,10+/m1/s1
InChIKeyPNAXPAGFAFJOCQ-SCZZXKLOSA-N
MW461.52 g/mol
LogP4.79
Rot. Bonds6

About cis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520363) has the molecular formula C20H17F2N5O2S2 and a molecular weight of 461.52 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164520363
Molecular FormulaC20H17F2N5O2S2
Molecular Weight461.52 g/mol
Exact Mass461.08
IUPAC Namecis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCOc1c(F)c(SC)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)sc3n2)c2cn[nH]c12
InChIInChI=1S/C20H17F2N5O2S2/c1-3-29-16-14(22)17(30-2)13(9-7-23-27-15(9)16)11-4-5-12-19(24-11)31-20(25-12)26-18(28)8-6-10(8)21/h4-5,7-8,10H,3,6H2,1-2H3,(H,23,27)(H,25,26,28)/t8-,10+/m1/s1
InChIKeyPNAXPAGFAFJOCQ-SCZZXKLOSA-N
XLogP4.79
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze cis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-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 cis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520363) is cis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is CCOc1c(F)c(SC)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)sc3n2)c2cn[nH]c12.
What is the InChIKey of cis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is PNAXPAGFAFJOCQ-SCZZXKLOSA-N. The full InChI is InChI=1S/C20H17F2N5O2S2/c1-3-29-16-14(22)17(30-2)13(9-7-23-27-15(9)16)11-4-5-12-19(24-11)31-20(25-12)26-18(28)8-6-10(8)21/h4-5,7-8,10H,3,6H2,1-2H3,(H,23,27)(H,25,26,28)/t8-,10+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).