N-[6-[5-(difluoromethyl)-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide

C20H16F4N6O2 — CID 176792837

IUPACN-[6-[5-(difluoromethyl)-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(O)c1c(F)c(C(F)F)c(-c2cn3cc(NC(=O)C4CC4F)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C20H16F4N6O2/c1-7(31)14-17(22)16(19(23)24)15(9-3-26-29-18(9)14)11-5-30-6-12(27-13(30)4-25-11)28-20(32)8-2-10(8)21/h3-8,10,19,31H,2H2,1H3,(H,26,29)(H,28,32)
InChIKeyXBPIEIQMAKSZAW-UHFFFAOYSA-N
MW448.38 g/mol
LogP3.70
Rot. Bonds5

About N-[6-[5-(difluoromethyl)-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide

N-[6-[5-(difluoromethyl)-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 176792837) has the molecular formula C20H16F4N6O2 and a molecular weight of 448.38 g/mol. Its IUPAC name is N-[6-[5-(difluoromethyl)-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(difluoromethyl)-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID176792837
Molecular FormulaC20H16F4N6O2
Molecular Weight448.38 g/mol
Exact Mass448.13
IUPAC NameN-[6-[5-(difluoromethyl)-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(O)c1c(F)c(C(F)F)c(-c2cn3cc(NC(=O)C4CC4F)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C20H16F4N6O2/c1-7(31)14-17(22)16(19(23)24)15(9-3-26-29-18(9)14)11-5-30-6-12(27-13(30)4-25-11)28-20(32)8-2-10(8)21/h3-8,10,19,31H,2H2,1H3,(H,26,29)(H,28,32)
InChIKeyXBPIEIQMAKSZAW-UHFFFAOYSA-N
XLogP3.70
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.38
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[7-[acetamido(cyclopropyl)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 176792872
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
N-[6-(6,7-difluoro-5-methyl-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164717793
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-(1,1-difluoropropan-2-ylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 163220696
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-[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-[7-[cyclopropyl(hydroxy)methyl]-6-fluoro-5-methoxy-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 169196205
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-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520285
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

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(difluoromethyl)-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of 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) is N-[6-[5-(difluoromethyl)-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-[5-(difluoromethyl)-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[6-[5-(difluoromethyl)-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is CC(O)c1c(F)c(C(F)F)c(-c2cn3cc(NC(=O)C4CC4F)nc3cn2)c2cn[nH]c12.
What is the InChIKey of N-[6-[5-(difluoromethyl)-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is XBPIEIQMAKSZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N6O2/c1-7(31)14-17(22)16(19(23)24)15(9-3-26-29-18(9)14)11-5-30-6-12(27-13(30)4-25-11)28-20(32)8-2-10(8)21/h3-8,10,19,31H,2H2,1H3,(H,26,29)(H,28,32).
What are the key properties of N-[6-[5-(difluoromethyl)-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
N-[6-[5-(difluoromethyl)-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 448.38 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(difluoromethyl)-6-fluoro-7-(1-hydroxyethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 176792837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).