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

C19H15ClF2N6O2 — CID 164520656

IUPACcis-(1S,2S)-N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCOc1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3n2)c2cn[nH]c12
InChIInChI=1S/C19H15ClF2N6O2/c1-2-30-18-16(22)15(20)14(9-6-23-26-17(9)18)11-3-4-13-24-12(7-28(13)27-11)25-19(29)8-5-10(8)21/h3-4,6-8,10H,2,5H2,1H3,(H,23,26)(H,25,29)/t8-,10+/m1/s1
InChIKeyDVQYGSKGJGQZKB-SCZZXKLOSA-N
MW432.82 g/mol
LogP3.76
Rot. Bonds5

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

cis-(1S,2S)-N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520656) has the molecular formula C19H15ClF2N6O2 and a molecular weight of 432.82 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164520656
Molecular FormulaC19H15ClF2N6O2
Molecular Weight432.82 g/mol
Exact Mass432.09
IUPAC Namecis-(1S,2S)-N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCOc1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3n2)c2cn[nH]c12
InChIInChI=1S/C19H15ClF2N6O2/c1-2-30-18-16(22)15(20)14(9-6-23-26-17(9)18)11-3-4-13-24-12(7-28(13)27-11)25-19(29)8-5-10(8)21/h3-4,6-8,10H,2,5H2,1H3,(H,23,26)(H,25,29)/t8-,10+/m1/s1
InChIKeyDVQYGSKGJGQZKB-SCZZXKLOSA-N
XLogP3.76
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.82
LogP ≤ 53.76
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-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520656) is cis-(1S,2S)-N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide is CCOc1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3n2)c2cn[nH]c12.
What is the InChIKey of cis-(1S,2S)-N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is DVQYGSKGJGQZKB-SCZZXKLOSA-N. The full InChI is InChI=1S/C19H15ClF2N6O2/c1-2-30-18-16(22)15(20)14(9-6-23-26-17(9)18)11-3-4-13-24-12(7-28(13)27-11)25-19(29)8-5-10(8)21/h3-4,6-8,10H,2,5H2,1H3,(H,23,26)(H,25,29)/t8-,10+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 432.82 g/mol, XLogP of 3.76, 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-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).