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

C20H17ClF2N6O2 — CID 164520614

IUPACcis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(C)Oc1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C20H17ClF2N6O2/c1-8(2)31-19-17(23)16(21)15(10-4-25-28-18(10)19)12-6-29-7-13(26-14(29)5-24-12)27-20(30)9-3-11(9)22/h4-9,11H,3H2,1-2H3,(H,25,28)(H,27,30)/t9-,11+/m1/s1
InChIKeyPGSUPRBPUBVDCL-KOLCDFICSA-N
MW446.85 g/mol
LogP4.15
Rot. Bonds5

About cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-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]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520614) has the molecular formula C20H17ClF2N6O2 and a molecular weight of 446.85 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]pyrazin-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]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164520614
Molecular FormulaC20H17ClF2N6O2
Molecular Weight446.85 g/mol
Exact Mass446.11
IUPAC Namecis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(C)Oc1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C20H17ClF2N6O2/c1-8(2)31-19-17(23)16(21)15(10-4-25-28-18(10)19)12-6-29-7-13(26-14(29)5-24-12)27-20(30)9-3-11(9)22/h4-9,11H,3H2,1-2H3,(H,25,28)(H,27,30)/t9-,11+/m1/s1
InChIKeyPGSUPRBPUBVDCL-KOLCDFICSA-N
XLogP4.15
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.85
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-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-[6-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-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]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520614) is cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-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]pyrazin-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]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is CC(C)Oc1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)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]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is PGSUPRBPUBVDCL-KOLCDFICSA-N. The full InChI is InChI=1S/C20H17ClF2N6O2/c1-8(2)31-19-17(23)16(21)15(10-4-25-28-18(10)19)12-6-29-7-13(26-14(29)5-24-12)27-20(30)9-3-11(9)22/h4-9,11H,3H2,1-2H3,(H,25,28)(H,27,30)/t9-,11+/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]pyrazin-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]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 446.85 g/mol, XLogP of 4.15, 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-[6-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).