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

C18H11F2N7O — CID 169196155

IUPACcis-(1S,2S)-N-[6-(5-cyano-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESN#Cc1c(F)cc2[nH]ncc2c1-c1cn2cc(NC(=O)[C@@H]3C[C@@H]3F)nc2cn1
InChIInChI=1S/C18H11F2N7O/c19-11-1-8(11)18(28)25-15-7-27-6-14(22-5-16(27)24-15)17-9(3-21)12(20)2-13-10(17)4-23-26-13/h2,4-8,11H,1H2,(H,23,26)(H,25,28)/t8-,11+/m1/s1
InChIKeySJWHNAITCQDHIU-KCJUWKMLSA-N
MW379.33 g/mol
LogP2.58
Rot. Bonds3

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

cis-(1S,2S)-N-[6-(5-cyano-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 169196155) has the molecular formula C18H11F2N7O and a molecular weight of 379.33 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-(5-cyano-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-cyano-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID169196155
Molecular FormulaC18H11F2N7O
Molecular Weight379.33 g/mol
Exact Mass379.10
IUPAC Namecis-(1S,2S)-N-[6-(5-cyano-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESN#Cc1c(F)cc2[nH]ncc2c1-c1cn2cc(NC(=O)[C@@H]3C[C@@H]3F)nc2cn1
InChIInChI=1S/C18H11F2N7O/c19-11-1-8(11)18(28)25-15-7-27-6-14(22-5-16(27)24-15)17-9(3-21)12(20)2-13-10(17)4-23-26-13/h2,4-8,11H,1H2,(H,23,26)(H,25,28)/t8-,11+/m1/s1
InChIKeySJWHNAITCQDHIU-KCJUWKMLSA-N
XLogP2.58
TPSA111.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-[6-(6-fluoro-5-methyl-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide
CID 175707455
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-[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
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
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-[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-(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)-2-fluoro-N-[6-[6-fluoro-5-(1-fluoroethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 167002415
cis-(1S,2S)-N-[6-[7-(dimethylamino)-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520694
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-[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

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-(5-cyano-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-cyano-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 169196155) is cis-(1S,2S)-N-[6-(5-cyano-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-cyano-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-cyano-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is N#Cc1c(F)cc2[nH]ncc2c1-c1cn2cc(NC(=O)[C@@H]3C[C@@H]3F)nc2cn1.
What is the InChIKey of cis-(1S,2S)-N-[6-(5-cyano-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is SJWHNAITCQDHIU-KCJUWKMLSA-N. The full InChI is InChI=1S/C18H11F2N7O/c19-11-1-8(11)18(28)25-15-7-27-6-14(22-5-16(27)24-15)17-9(3-21)12(20)2-13-10(17)4-23-26-13/h2,4-8,11H,1H2,(H,23,26)(H,25,28)/t8-,11+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[6-(5-cyano-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[6-(5-cyano-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 379.33 g/mol, XLogP of 2.58, 3 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-cyano-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 169196155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).