N-[3-[(6R)-8-amino-6-methyl-2-(trifluoromethyl)-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-1-(difluoromethyl)pyrazole-3-carboxamide

C19H15F6N7O — CID 71449474

IUPACN-[3-[(6R)-8-amino-6-methyl-2-(trifluoromethyl)-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3ccn(C(F)F)n3)ccc2F)Cn2cc(C(F)(F)F)nc2C(N)=N1
InChIInChI=1S/C19H15F6N7O/c1-18(8-31-7-13(19(23,24)25)28-15(31)14(26)29-18)10-6-9(2-3-11(10)20)27-16(33)12-4-5-32(30-12)17(21)22/h2-7,17H,8H2,1H3,(H2,26,29)(H,27,33)/t18-/m0/s1
InChIKeyIZRCDGKIORKECW-SFHVURJKSA-N
MW471.37 g/mol
LogP3.52
Rot. Bonds4

About N-[3-[(6R)-8-amino-6-methyl-2-(trifluoromethyl)-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-1-(difluoromethyl)pyrazole-3-carboxamide

N-[3-[(6R)-8-amino-6-methyl-2-(trifluoromethyl)-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-1-(difluoromethyl)pyrazole-3-carboxamide (PubChem CID 71449474) has the molecular formula C19H15F6N7O and a molecular weight of 471.37 g/mol. Its IUPAC name is N-[3-[(6R)-8-amino-6-methyl-2-(trifluoromethyl)-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-1-(difluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(6R)-8-amino-6-methyl-2-(trifluoromethyl)-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-1-(difluoromethyl)pyrazole-3-carboxamide
PubChem CID71449474
Molecular FormulaC19H15F6N7O
Molecular Weight471.37 g/mol
Exact Mass471.12
IUPAC NameN-[3-[(6R)-8-amino-6-methyl-2-(trifluoromethyl)-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3ccn(C(F)F)n3)ccc2F)Cn2cc(C(F)(F)F)nc2C(N)=N1
InChIInChI=1S/C19H15F6N7O/c1-18(8-31-7-13(19(23,24)25)28-15(31)14(26)29-18)10-6-9(2-3-11(10)20)27-16(33)12-4-5-32(30-12)17(21)22/h2-7,17H,8H2,1H3,(H2,26,29)(H,27,33)/t18-/m0/s1
InChIKeyIZRCDGKIORKECW-SFHVURJKSA-N
XLogP3.52
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.37
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[(6R)-8-amino-6-methyl-2-(trifluoromethyl)-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-1-(difluoromethyl)pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6R)-8-amino-6-methyl-2-(trifluoromethyl)-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[3-[(6R)-8-amino-6-methyl-2-(trifluoromethyl)-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-1-(difluoromethyl)pyrazole-3-carboxamide (CID 71449474) is N-[3-[(6R)-8-amino-6-methyl-2-(trifluoromethyl)-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-1-(difluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[(6R)-8-amino-6-methyl-2-(trifluoromethyl)-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[3-[(6R)-8-amino-6-methyl-2-(trifluoromethyl)-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-1-(difluoromethyl)pyrazole-3-carboxamide is C[C@@]1(c2cc(NC(=O)c3ccn(C(F)F)n3)ccc2F)Cn2cc(C(F)(F)F)nc2C(N)=N1.
What is the InChIKey of N-[3-[(6R)-8-amino-6-methyl-2-(trifluoromethyl)-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The InChIKey is IZRCDGKIORKECW-SFHVURJKSA-N. The full InChI is InChI=1S/C19H15F6N7O/c1-18(8-31-7-13(19(23,24)25)28-15(31)14(26)29-18)10-6-9(2-3-11(10)20)27-16(33)12-4-5-32(30-12)17(21)22/h2-7,17H,8H2,1H3,(H2,26,29)(H,27,33)/t18-/m0/s1.
What are the key properties of N-[3-[(6R)-8-amino-6-methyl-2-(trifluoromethyl)-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-1-(difluoromethyl)pyrazole-3-carboxamide?
N-[3-[(6R)-8-amino-6-methyl-2-(trifluoromethyl)-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-1-(difluoromethyl)pyrazole-3-carboxamide has a molecular weight of 471.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6R)-8-amino-6-methyl-2-(trifluoromethyl)-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-1-(difluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 71449474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).