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

C19H14ClF2N5O2S — CID 163221048

IUPACcis-(1S,2S)-N-[5-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCOc1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)sc3n2)c2cn[nH]c12
InChIInChI=1S/C19H14ClF2N5O2S/c1-2-29-16-14(22)13(20)12(8-6-23-27-15(8)16)10-3-4-11-18(24-10)30-19(25-11)26-17(28)7-5-9(7)21/h3-4,6-7,9H,2,5H2,1H3,(H,23,27)(H,25,26,28)/t7-,9+/m1/s1
InChIKeyZQKAHJKWHAYPGL-APPZFPTMSA-N
MW449.87 g/mol
LogP4.72
Rot. Bonds5

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

cis-(1S,2S)-N-[5-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 163221048) has the molecular formula C19H14ClF2N5O2S and a molecular weight of 449.87 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-(5-chloro-7-ethoxy-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-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID163221048
Molecular FormulaC19H14ClF2N5O2S
Molecular Weight449.87 g/mol
Exact Mass449.05
IUPAC Namecis-(1S,2S)-N-[5-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCOc1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)sc3n2)c2cn[nH]c12
InChIInChI=1S/C19H14ClF2N5O2S/c1-2-29-16-14(22)13(20)12(8-6-23-27-15(8)16)10-3-4-11-18(24-10)30-19(25-11)26-17(28)7-5-9(7)21/h3-4,6-7,9H,2,5H2,1H3,(H,23,27)(H,25,26,28)/t7-,9+/m1/s1
InChIKeyZQKAHJKWHAYPGL-APPZFPTMSA-N
XLogP4.72
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.87
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cis-(1S,2S)-N-[5-(5-chloro-7-ethoxy-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-(5-chloro-7-ethoxy-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-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 163221048) is cis-(1S,2S)-N-[5-(5-chloro-7-ethoxy-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-(5-chloro-7-ethoxy-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-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is CCOc1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)sc3n2)c2cn[nH]c12.
What is the InChIKey of cis-(1S,2S)-N-[5-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is ZQKAHJKWHAYPGL-APPZFPTMSA-N. The full InChI is InChI=1S/C19H14ClF2N5O2S/c1-2-29-16-14(22)13(20)12(8-6-23-27-15(8)16)10-3-4-11-18(24-10)30-19(25-11)26-17(28)7-5-9(7)21/h3-4,6-7,9H,2,5H2,1H3,(H,23,27)(H,25,26,28)/t7-,9+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[5-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 449.87 g/mol, XLogP of 4.72, 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-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 163221048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).