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

C21H20F2N6O2 — CID 164520531

IUPACcis-(1S,2S)-N-[6-(7-ethoxy-5-ethyl-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCOc1c(F)c(CC)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3n2)c2cn[nH]c12
InChIInChI=1S/C21H20F2N6O2/c1-3-10-17(12-8-24-27-19(12)20(18(10)23)31-4-2)14-5-6-16-25-15(9-29(16)28-14)26-21(30)11-7-13(11)22/h5-6,8-9,11,13H,3-4,7H2,1-2H3,(H,24,27)(H,26,30)/t11-,13+/m1/s1
InChIKeyAYLXNYKEKHQORM-YPMHNXCESA-N
MW426.43 g/mol
LogP3.67
Rot. Bonds6

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

cis-(1S,2S)-N-[6-(7-ethoxy-5-ethyl-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520531) has the molecular formula C21H20F2N6O2 and a molecular weight of 426.43 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-(7-ethoxy-5-ethyl-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-(7-ethoxy-5-ethyl-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164520531
Molecular FormulaC21H20F2N6O2
Molecular Weight426.43 g/mol
Exact Mass426.16
IUPAC Namecis-(1S,2S)-N-[6-(7-ethoxy-5-ethyl-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCOc1c(F)c(CC)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3n2)c2cn[nH]c12
InChIInChI=1S/C21H20F2N6O2/c1-3-10-17(12-8-24-27-19(12)20(18(10)23)31-4-2)14-5-6-16-25-15(9-29(16)28-14)26-21(30)11-7-13(11)22/h5-6,8-9,11,13H,3-4,7H2,1-2H3,(H,24,27)(H,26,30)/t11-,13+/m1/s1
InChIKeyAYLXNYKEKHQORM-YPMHNXCESA-N
XLogP3.67
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(6,7-difluoro-5-methyl-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164717793
cis-(1S,2S)-N-[6-[7-(1-aminoethyl)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 163220631
cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520285
N-[6-[5-(difluoromethyl)-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 176792837
cis-(1S,2S)-N-[6-[7-(dimethylamino)-6-fluoro-5-methoxy-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 169195946
cis-(1S,2S)-N-[6-(5-chloro-7-cyclopropyloxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520432
N-[6-(5-chloro-7-cyclopropyloxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718124
2-[[5-ethyl-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-1H-indazol-7-yl]sulfanyl]acetic acid
CID 164718046
cis-(1S,2S)-N-[6-[7-[cyclopropyl(hydroxy)methyl]-6-fluoro-5-methoxy-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 169196205
cis-(1S,2S)-N-[6-[5-chloro-7-[ethyl(methyl)amino]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520275
cis-(1S,2S)-N-[6-[5-chloro-7-[1-(ethylamino)-1-oxopropan-2-yl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164717968
cis-(1S,2S)-N-[6-[7-(dimethylamino)-6-fluoro-5-methyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520637

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-(7-ethoxy-5-ethyl-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-(7-ethoxy-5-ethyl-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520531) is cis-(1S,2S)-N-[6-(7-ethoxy-5-ethyl-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-(7-ethoxy-5-ethyl-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-(7-ethoxy-5-ethyl-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide is CCOc1c(F)c(CC)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3n2)c2cn[nH]c12.
What is the InChIKey of cis-(1S,2S)-N-[6-(7-ethoxy-5-ethyl-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is AYLXNYKEKHQORM-YPMHNXCESA-N. The full InChI is InChI=1S/C21H20F2N6O2/c1-3-10-17(12-8-24-27-19(12)20(18(10)23)31-4-2)14-5-6-16-25-15(9-29(16)28-14)26-21(30)11-7-13(11)22/h5-6,8-9,11,13H,3-4,7H2,1-2H3,(H,24,27)(H,26,30)/t11-,13+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[6-(7-ethoxy-5-ethyl-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[6-(7-ethoxy-5-ethyl-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 426.43 g/mol, XLogP of 3.67, 6 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-(7-ethoxy-5-ethyl-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).