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

C20H15ClF2N6O2 — CID 164520710

IUPACcis-(1S,2S)-N-[6-(5-chloro-7-cyclopropyloxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cn2cc(-c3c(Cl)c(F)c(OC4CC4)c4[nH]ncc34)ncc2n1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C20H15ClF2N6O2/c21-16-15(10-4-25-28-18(10)19(17(16)23)31-8-1-2-8)12-6-29-7-13(26-14(29)5-24-12)27-20(30)9-3-11(9)22/h4-9,11H,1-3H2,(H,25,28)(H,27,30)/t9-,11+/m1/s1
InChIKeyOFIAFKNLNPBFDB-KOLCDFICSA-N
MW444.83 g/mol
LogP3.90
Rot. Bonds5

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

cis-(1S,2S)-N-[6-(5-chloro-7-cyclopropyloxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520710) has the molecular formula C20H15ClF2N6O2 and a molecular weight of 444.83 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-(5-chloro-7-cyclopropyloxy-6-fluoro-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-7-cyclopropyloxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164520710
Molecular FormulaC20H15ClF2N6O2
Molecular Weight444.83 g/mol
Exact Mass444.09
IUPAC Namecis-(1S,2S)-N-[6-(5-chloro-7-cyclopropyloxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cn2cc(-c3c(Cl)c(F)c(OC4CC4)c4[nH]ncc34)ncc2n1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C20H15ClF2N6O2/c21-16-15(10-4-25-28-18(10)19(17(16)23)31-8-1-2-8)12-6-29-7-13(26-14(29)5-24-12)27-20(30)9-3-11(9)22/h4-9,11H,1-3H2,(H,25,28)(H,27,30)/t9-,11+/m1/s1
InChIKeyOFIAFKNLNPBFDB-KOLCDFICSA-N
XLogP3.90
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.83
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-(5-chloro-7-cyclopropyloxy-6-fluoro-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-7-cyclopropyloxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520710) is cis-(1S,2S)-N-[6-(5-chloro-7-cyclopropyloxy-6-fluoro-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-7-cyclopropyloxy-6-fluoro-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-7-cyclopropyloxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is O=C(Nc1cn2cc(-c3c(Cl)c(F)c(OC4CC4)c4[nH]ncc34)ncc2n1)[C@@H]1C[C@@H]1F.
What is the InChIKey of cis-(1S,2S)-N-[6-(5-chloro-7-cyclopropyloxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is OFIAFKNLNPBFDB-KOLCDFICSA-N. The full InChI is InChI=1S/C20H15ClF2N6O2/c21-16-15(10-4-25-28-18(10)19(17(16)23)31-8-1-2-8)12-6-29-7-13(26-14(29)5-24-12)27-20(30)9-3-11(9)22/h4-9,11H,1-3H2,(H,25,28)(H,27,30)/t9-,11+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[6-(5-chloro-7-cyclopropyloxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[6-(5-chloro-7-cyclopropyloxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 444.83 g/mol, XLogP of 3.90, 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-7-cyclopropyloxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).