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

C21H12ClF5N8O2 — CID 164520560

IUPACcis-(1S,2S)-N-[6-[5-chloro-7-[cyano-[(2,2,2-trifluoroacetyl)amino]methyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESN#CC(NC(=O)C(F)(F)F)c1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C21H12ClF5N8O2/c22-16-14(11-5-35-6-12(32-13(35)4-29-11)33-19(36)7-1-9(7)23)8-3-30-34-18(8)15(17(16)24)10(2-28)31-20(37)21(25,26)27/h3-7,9-10H,1H2,(H,30,34)(H,31,37)(H,33,36)/t7-,9+,10?/m1/s1
InChIKeyNEHXGWXIAMYAIT-IKZKJGMZSA-N
MW538.82 g/mol
LogP3.60
Rot. Bonds5

About cis-(1S,2S)-N-[6-[5-chloro-7-[cyano-[(2,2,2-trifluoroacetyl)amino]methyl]-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-[cyano-[(2,2,2-trifluoroacetyl)amino]methyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520560) has the molecular formula C21H12ClF5N8O2 and a molecular weight of 538.82 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[5-chloro-7-[cyano-[(2,2,2-trifluoroacetyl)amino]methyl]-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-[cyano-[(2,2,2-trifluoroacetyl)amino]methyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164520560
Molecular FormulaC21H12ClF5N8O2
Molecular Weight538.82 g/mol
Exact Mass538.07
IUPAC Namecis-(1S,2S)-N-[6-[5-chloro-7-[cyano-[(2,2,2-trifluoroacetyl)amino]methyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESN#CC(NC(=O)C(F)(F)F)c1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C21H12ClF5N8O2/c22-16-14(11-5-35-6-12(32-13(35)4-29-11)33-19(36)7-1-9(7)23)8-3-30-34-18(8)15(17(16)24)10(2-28)31-20(37)21(25,26)27/h3-7,9-10H,1H2,(H,30,34)(H,31,37)(H,33,36)/t7-,9+,10?/m1/s1
InChIKeyNEHXGWXIAMYAIT-IKZKJGMZSA-N
XLogP3.60
TPSA140.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.82
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze cis-(1S,2S)-N-[6-[5-chloro-7-[cyano-[(2,2,2-trifluoroacetyl)amino]methyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-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

cis-(1S,2S)-N-[6-[5-chloro-7-[cyano-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]methyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520692
N-[6-[5-chloro-6-fluoro-7-[(1S)-1-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 176792855
N-[6-[5-chloro-6-fluoro-7-[(1R)-1-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 176792891
cis-(1S,2S)-N-[6-[5-chloro-7-(1-cyano-3-oxobutyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 165077138
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-(2,2,2-trifluoro-1-methoxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520475
cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-prop-1-ynyl-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520473
cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(methylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520650
N-[1-[5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyrazin-6-yl]-1H-indazol-7-yl]ethyl]cyclobutanecarboxamide
CID 164520645
N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164717942
cis-(1R,2R)-N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 163220732
N-[6-[5-chloro-7-(3,3-difluoroazetidin-1-yl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164717938

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-[5-chloro-7-[cyano-[(2,2,2-trifluoroacetyl)amino]methyl]-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-[cyano-[(2,2,2-trifluoroacetyl)amino]methyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520560) is cis-(1S,2S)-N-[6-[5-chloro-7-[cyano-[(2,2,2-trifluoroacetyl)amino]methyl]-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-[cyano-[(2,2,2-trifluoroacetyl)amino]methyl]-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-[cyano-[(2,2,2-trifluoroacetyl)amino]methyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is N#CC(NC(=O)C(F)(F)F)c1c(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-7-[cyano-[(2,2,2-trifluoroacetyl)amino]methyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is NEHXGWXIAMYAIT-IKZKJGMZSA-N. The full InChI is InChI=1S/C21H12ClF5N8O2/c22-16-14(11-5-35-6-12(32-13(35)4-29-11)33-19(36)7-1-9(7)23)8-3-30-34-18(8)15(17(16)24)10(2-28)31-20(37)21(25,26)27/h3-7,9-10H,1H2,(H,30,34)(H,31,37)(H,33,36)/t7-,9+,10?/m1/s1.
What are the key properties of cis-(1S,2S)-N-[6-[5-chloro-7-[cyano-[(2,2,2-trifluoroacetyl)amino]methyl]-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-[cyano-[(2,2,2-trifluoroacetyl)amino]methyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 538.82 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[6-[5-chloro-7-[cyano-[(2,2,2-trifluoroacetyl)amino]methyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).