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

C22H19ClF2N6O — CID 164717782

IUPACN-[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
SMILESCC(C)=C(C)c1c(F)c(Cl)c(-c2cn3cc(NC(=O)C4CC4F)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C22H19ClF2N6O/c1-9(2)10(3)17-20(25)19(23)18(12-5-27-30-21(12)17)14-7-31-8-15(28-16(31)6-26-14)29-22(32)11-4-13(11)24/h5-8,11,13H,4H2,1-3H3,(H,27,30)(H,29,32)
InChIKeyHNQOENJOJKGMNL-UHFFFAOYSA-N
MW456.88 g/mol
LogP5.17
Rot. Bonds4

About 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

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 (PubChem CID 164717782) has the molecular formula C22H19ClF2N6O and a molecular weight of 456.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID164717782
Molecular FormulaC22H19ClF2N6O
Molecular Weight456.88 g/mol
Exact Mass456.13
IUPAC NameN-[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
SMILESCC(C)=C(C)c1c(F)c(Cl)c(-c2cn3cc(NC(=O)C4CC4F)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C22H19ClF2N6O/c1-9(2)10(3)17-20(25)19(23)18(12-5-27-30-21(12)17)14-7-31-8-15(28-16(31)6-26-14)29-22(32)11-4-13(11)24/h5-8,11,13H,4H2,1-3H3,(H,27,30)(H,29,32)
InChIKeyHNQOENJOJKGMNL-UHFFFAOYSA-N
XLogP5.17
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.88
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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-(methylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520650
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
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
cis-(1S,2S)-N-[6-[5-chloro-7-(3,3-dimethylazetidin-1-yl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 163220672
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
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
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
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-[1-(3-methylpyrazol-1-yl)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520519
N-[6-[5-chloro-6-fluoro-7-(prop-2-ynylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164717885

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)=C(C)c1c(F)c(Cl)c(-c2cn3cc(NC(=O)C4CC4F)nc3cn2)c2cn[nH]c12.
What is the InChIKey of 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?
The InChIKey is HNQOENJOJKGMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N6O/c1-9(2)10(3)17-20(25)19(23)18(12-5-27-30-21(12)17)14-7-31-8-15(28-16(31)6-26-14)29-22(32)11-4-13(11)24/h5-8,11,13H,4H2,1-3H3,(H,27,30)(H,29,32).
What are the key properties of 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?
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 has a molecular weight of 456.88 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164717782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).