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

C20H17F2N5O2S — CID 164520414

IUPACcis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCOc1c(F)c(C)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)sc3n2)c2cn[nH]c12
InChIInChI=1S/C20H17F2N5O2S/c1-3-29-17-15(22)8(2)14(10-7-23-27-16(10)17)12-4-5-13-19(24-12)30-20(25-13)26-18(28)9-6-11(9)21/h4-5,7,9,11H,3,6H2,1-2H3,(H,23,27)(H,25,26,28)/t9-,11+/m1/s1
InChIKeyJIZWCAABFOOSPN-KOLCDFICSA-N
MW429.45 g/mol
LogP4.38
Rot. Bonds5

About cis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methyl-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-methyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520414) has the molecular formula C20H17F2N5O2S and a molecular weight of 429.45 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methyl-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-methyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164520414
Molecular FormulaC20H17F2N5O2S
Molecular Weight429.45 g/mol
Exact Mass429.11
IUPAC Namecis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCOc1c(F)c(C)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)sc3n2)c2cn[nH]c12
InChIInChI=1S/C20H17F2N5O2S/c1-3-29-17-15(22)8(2)14(10-7-23-27-16(10)17)12-4-5-13-19(24-12)30-20(25-13)26-18(28)9-6-11(9)21/h4-5,7,9,11H,3,6H2,1-2H3,(H,23,27)(H,25,26,28)/t9-,11+/m1/s1
InChIKeyJIZWCAABFOOSPN-KOLCDFICSA-N
XLogP4.38
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methyl-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-6-fluoro-5-methyl-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-methyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520414) is cis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methyl-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-methyl-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-methyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is CCOc1c(F)c(C)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-methyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is JIZWCAABFOOSPN-KOLCDFICSA-N. The full InChI is InChI=1S/C20H17F2N5O2S/c1-3-29-17-15(22)8(2)14(10-7-23-27-16(10)17)12-4-5-13-19(24-12)30-20(25-13)26-18(28)9-6-11(9)21/h4-5,7,9,11H,3,6H2,1-2H3,(H,23,27)(H,25,26,28)/t9-,11+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-(7-ethoxy-6-fluoro-5-methyl-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-methyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 429.45 g/mol, XLogP of 4.38, 5 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-6-fluoro-5-methyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).