cyclopropane;N-[6-[6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide

C18H14F4N6O — CID 163220841

IUPACcyclopropane;N-[6-[6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
SMILESC1CC1.O=CNc1cn2cc(-c3c(C(F)(F)F)c(F)cc4[nH]ncc34)ncc2n1
InChIInChI=1S/C15H8F4N6O.C3H6/c16-8-1-9-7(2-22-24-9)13(14(8)15(17,18)19)10-4-25-5-11(21-6-26)23-12(25)3-20-10;1-2-3-1/h1-6H,(H,21,26)(H,22,24);1-3H2
InChIKeyXQKKDGQLNCSXNK-UHFFFAOYSA-N
MW406.34 g/mol
LogP4.17
Rot. Bonds3

About cyclopropane;N-[6-[6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide

cyclopropane;N-[6-[6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide (PubChem CID 163220841) has the molecular formula C18H14F4N6O and a molecular weight of 406.34 g/mol. Its IUPAC name is cyclopropane;N-[6-[6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide.

Molecular Properties

Compound Namecyclopropane;N-[6-[6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
PubChem CID163220841
Molecular FormulaC18H14F4N6O
Molecular Weight406.34 g/mol
Exact Mass406.12
IUPAC Namecyclopropane;N-[6-[6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
SMILESC1CC1.O=CNc1cn2cc(-c3c(C(F)(F)F)c(F)cc4[nH]ncc34)ncc2n1
InChIInChI=1S/C15H8F4N6O.C3H6/c16-8-1-9-7(2-22-24-9)13(14(8)15(17,18)19)10-4-25-5-11(21-6-26)23-12(25)3-20-10;1-2-3-1/h1-6H,(H,21,26)(H,22,24);1-3H2
InChIKeyXQKKDGQLNCSXNK-UHFFFAOYSA-N
XLogP4.17
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.34
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[6-(5-bromo-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]formamide
CID 163220438
N-[6-[7-(1-aminoethyl)-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
CID 169196200
cyclopropane;N-[6-[6-fluoro-5-methylsulfanyl-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
CID 163220690
N-[6-[5-chloro-6-fluoro-7-(3-oxocyclopenten-1-yl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane
CID 163220730
cyclopropane;N-[6-[7-[1-(dimethylamino)propan-2-yl]-6-fluoro-5-methyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
CID 169196059
N-[6-[7-(cyclopenten-1-yl)-6-fluoro-5-methyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
CID 169196011
N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane
CID 163220664
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
N-[6-[7-(aminomethyl)-5-ethyl-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
CID 163220776
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-[7-[cyclopropyl(hydroxy)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
CID 169196048
N-[6-[7-(aminomethyl)-5-ethyl-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;ethane
CID 163220775

Frequently Asked Questions

What is the IUPAC name of cyclopropane;N-[6-[6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
The IUPAC name of cyclopropane;N-[6-[6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide (CID 163220841) is cyclopropane;N-[6-[6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide.
What is the SMILES notation for cyclopropane;N-[6-[6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
The canonical SMILES for cyclopropane;N-[6-[6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide is C1CC1.O=CNc1cn2cc(-c3c(C(F)(F)F)c(F)cc4[nH]ncc34)ncc2n1.
What is the InChIKey of cyclopropane;N-[6-[6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
The InChIKey is XQKKDGQLNCSXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N6O.C3H6/c16-8-1-9-7(2-22-24-9)13(14(8)15(17,18)19)10-4-25-5-11(21-6-26)23-12(25)3-20-10;1-2-3-1/h1-6H,(H,21,26)(H,22,24);1-3H2.
What are the key properties of cyclopropane;N-[6-[6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
cyclopropane;N-[6-[6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide has a molecular weight of 406.34 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;N-[6-[6-fluoro-5-(trifluoromethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide is sourced from PubChem (CID 163220841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).