cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

C21H18ClF2N5O2 — CID 164520333

IUPACcis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(C)Oc1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12
InChIInChI=1S/C21H18ClF2N5O2/c1-9(2)31-20-18(24)17(22)16(12-6-25-28-19(12)20)10-3-4-15-26-14(8-29(15)7-10)27-21(30)11-5-13(11)23/h3-4,6-9,11,13H,5H2,1-2H3,(H,25,28)(H,27,30)/t11-,13+/m1/s1
InChIKeyMCXRFDXSUPXTQS-YPMHNXCESA-N
MW445.86 g/mol
LogP4.75
Rot. Bonds5

About cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520333) has the molecular formula C21H18ClF2N5O2 and a molecular weight of 445.86 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164520333
Molecular FormulaC21H18ClF2N5O2
Molecular Weight445.86 g/mol
Exact Mass445.11
IUPAC Namecis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(C)Oc1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12
InChIInChI=1S/C21H18ClF2N5O2/c1-9(2)31-20-18(24)17(22)16(12-6-25-28-19(12)20)10-3-4-15-26-14(8-29(15)7-10)27-21(30)11-5-13(11)23/h3-4,6-9,11,13H,5H2,1-2H3,(H,25,28)(H,27,30)/t11-,13+/m1/s1
InChIKeyMCXRFDXSUPXTQS-YPMHNXCESA-N
XLogP4.75
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.86
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520333) is cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is CC(C)Oc1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12.
What is the InChIKey of cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is MCXRFDXSUPXTQS-YPMHNXCESA-N. The full InChI is InChI=1S/C21H18ClF2N5O2/c1-9(2)31-20-18(24)17(22)16(12-6-25-28-19(12)20)10-3-4-15-26-14(8-29(15)7-10)27-21(30)11-5-13(11)23/h3-4,6-9,11,13H,5H2,1-2H3,(H,25,28)(H,27,30)/t11-,13+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 445.86 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).