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

C23H16ClF3N8O2 — CID 164520692

IUPACcis-(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
SMILESN#CC(NC(=O)[C@@H]1C[C@@H]1F)c1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C23H16ClF3N8O2/c24-19-17(14-6-35-7-15(32-16(35)5-29-14)33-23(37)9-2-12(9)26)10-4-30-34-21(10)18(20(19)27)13(3-28)31-22(36)8-1-11(8)25/h4-9,11-13H,1-2H2,(H,30,34)(H,31,36)(H,33,37)/t8-,9-,11+,12+,13?/m1/s1
InChIKeyQGMHAELSTOVJFV-QICSLXPLSA-N
MW528.88 g/mol
LogP3.40
Rot. Bonds6

About 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

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 (PubChem CID 164520692) has the molecular formula C23H16ClF3N8O2 and a molecular weight of 528.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecis-(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
PubChem CID164520692
Molecular FormulaC23H16ClF3N8O2
Molecular Weight528.88 g/mol
Exact Mass528.10
IUPAC Namecis-(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
SMILESN#CC(NC(=O)[C@@H]1C[C@@H]1F)c1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C23H16ClF3N8O2/c24-19-17(14-6-35-7-15(32-16(35)5-29-14)33-23(37)9-2-12(9)26)10-4-30-34-21(10)18(20(19)27)13(3-28)31-22(36)8-1-11(8)25/h4-9,11-13H,1-2H2,(H,30,34)(H,31,36)(H,33,37)/t8-,9-,11+,12+,13?/m1/s1
InChIKeyQGMHAELSTOVJFV-QICSLXPLSA-N
XLogP3.40
TPSA140.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.88
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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-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-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
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
N-[6-[5-chloro-6-fluoro-7-(3-methylbut-2-en-2-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164717782

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#CC(NC(=O)[C@@H]1C[C@@H]1F)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-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]methyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is QGMHAELSTOVJFV-QICSLXPLSA-N. The full InChI is InChI=1S/C23H16ClF3N8O2/c24-19-17(14-6-35-7-15(32-16(35)5-29-14)33-23(37)9-2-12(9)26)10-4-30-34-21(10)18(20(19)27)13(3-28)31-22(36)8-1-11(8)25/h4-9,11-13H,1-2H2,(H,30,34)(H,31,36)(H,33,37)/t8-,9-,11+,12+,13?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 528.88 g/mol, XLogP of 3.40, 6 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-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]methyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).