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

C21H19F2N5O2S — CID 164520459

IUPACcis-(1S,2S)-N-[5-(7-ethoxy-5-ethyl-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCOc1c(F)c(CC)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)sc3n2)c2cn[nH]c12
InChIInChI=1S/C21H19F2N5O2S/c1-3-9-15(11-8-24-28-17(11)18(16(9)23)30-4-2)13-5-6-14-20(25-13)31-21(26-14)27-19(29)10-7-12(10)22/h5-6,8,10,12H,3-4,7H2,1-2H3,(H,24,28)(H,26,27,29)/t10-,12+/m1/s1
InChIKeyVVBNDBFPEWEVOP-PWSUYJOCSA-N
MW443.48 g/mol
LogP4.63
Rot. Bonds6

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

cis-(1S,2S)-N-[5-(7-ethoxy-5-ethyl-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520459) has the molecular formula C21H19F2N5O2S and a molecular weight of 443.48 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-(7-ethoxy-5-ethyl-6-fluoro-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-5-ethyl-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164520459
Molecular FormulaC21H19F2N5O2S
Molecular Weight443.48 g/mol
Exact Mass443.12
IUPAC Namecis-(1S,2S)-N-[5-(7-ethoxy-5-ethyl-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCOc1c(F)c(CC)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)sc3n2)c2cn[nH]c12
InChIInChI=1S/C21H19F2N5O2S/c1-3-9-15(11-8-24-28-17(11)18(16(9)23)30-4-2)13-5-6-14-20(25-13)31-21(26-14)27-19(29)10-7-12(10)22/h5-6,8,10,12H,3-4,7H2,1-2H3,(H,24,28)(H,26,27,29)/t10-,12+/m1/s1
InChIKeyVVBNDBFPEWEVOP-PWSUYJOCSA-N
XLogP4.63
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[5-(7-ethoxy-5-ethyl-6-fluoro-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-5-ethyl-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520459) is cis-(1S,2S)-N-[5-(7-ethoxy-5-ethyl-6-fluoro-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-5-ethyl-6-fluoro-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-5-ethyl-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is CCOc1c(F)c(CC)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-5-ethyl-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is VVBNDBFPEWEVOP-PWSUYJOCSA-N. The full InChI is InChI=1S/C21H19F2N5O2S/c1-3-9-15(11-8-24-28-17(11)18(16(9)23)30-4-2)13-5-6-14-20(25-13)31-21(26-14)27-19(29)10-7-12(10)22/h5-6,8,10,12H,3-4,7H2,1-2H3,(H,24,28)(H,26,27,29)/t10-,12+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-(7-ethoxy-5-ethyl-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[5-(7-ethoxy-5-ethyl-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[5-(7-ethoxy-5-ethyl-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).