2-tert-butyl-7-[(2R)-3-(2,4-difluorophenyl)-3-methoxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C23H30F2N6O — CID 90327411

IUPAC2-tert-butyl-7-[(2R)-3-(2,4-difluorophenyl)-3-methoxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCOC(Cn1cncn1)(c1ccc(F)cc1F)[C@@H](C)N1CCn2cc(C(C)(C)C)nc2C1
InChIInChI=1S/C23H30F2N6O/c1-16(29-8-9-30-11-20(22(2,3)4)28-21(30)12-29)23(32-5,13-31-15-26-14-27-31)18-7-6-17(24)10-19(18)25/h6-7,10-11,14-16H,8-9,12-13H2,1-5H3/t16-,23?/m1/s1
InChIKeyRABOAOLEPONQML-ADRQNKRLSA-N
MW444.53 g/mol
LogP3.50
Rot. Bonds6

About 2-tert-butyl-7-[(2R)-3-(2,4-difluorophenyl)-3-methoxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

2-tert-butyl-7-[(2R)-3-(2,4-difluorophenyl)-3-methoxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 90327411) has the molecular formula C23H30F2N6O and a molecular weight of 444.53 g/mol. Its IUPAC name is 2-tert-butyl-7-[(2R)-3-(2,4-difluorophenyl)-3-methoxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-tert-butyl-7-[(2R)-3-(2,4-difluorophenyl)-3-methoxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID90327411
Molecular FormulaC23H30F2N6O
Molecular Weight444.53 g/mol
Exact Mass444.24
IUPAC Name2-tert-butyl-7-[(2R)-3-(2,4-difluorophenyl)-3-methoxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCOC(Cn1cncn1)(c1ccc(F)cc1F)[C@@H](C)N1CCn2cc(C(C)(C)C)nc2C1
InChIInChI=1S/C23H30F2N6O/c1-16(29-8-9-30-11-20(22(2,3)4)28-21(30)12-29)23(32-5,13-31-15-26-14-27-31)18-7-6-17(24)10-19(18)25/h6-7,10-11,14-16H,8-9,12-13H2,1-5H3/t16-,23?/m1/s1
InChIKeyRABOAOLEPONQML-ADRQNKRLSA-N
XLogP3.50
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-tert-butyl-7-[(2R)-3-(2,4-difluorophenyl)-3-methoxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine with MolForge

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Related Compounds

5-[7-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile
CID 123138301
5-[7-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile
CID 90327314
2-(2,4-difluorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 123857305
1-[2-(2,4-difluorophenyl)-2-methoxy-3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole
CID 90757078
(2R,3R)-3-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 90676041
2-(2,4-difluorophenyl)-3-(2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 123500732
(2R,3R)-2-(2,4-difluorophenyl)-3-[2-(2-methylpyrimidin-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 90676039
2-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 123796400
2-(2,4-difluorophenyl)-3-(2-thiophen-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 123698310
(2S,3S)-2-(2,4-difluorophenyl)-3-(4-hexylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 67568292
(2R)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 58961300
2-(2,4-difluorophenyl)-3-(2-pyridin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 123260257

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-[(2R)-3-(2,4-difluorophenyl)-3-methoxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 2-tert-butyl-7-[(2R)-3-(2,4-difluorophenyl)-3-methoxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 90327411) is 2-tert-butyl-7-[(2R)-3-(2,4-difluorophenyl)-3-methoxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-tert-butyl-7-[(2R)-3-(2,4-difluorophenyl)-3-methoxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-tert-butyl-7-[(2R)-3-(2,4-difluorophenyl)-3-methoxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is COC(Cn1cncn1)(c1ccc(F)cc1F)[C@@H](C)N1CCn2cc(C(C)(C)C)nc2C1.
What is the InChIKey of 2-tert-butyl-7-[(2R)-3-(2,4-difluorophenyl)-3-methoxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is RABOAOLEPONQML-ADRQNKRLSA-N. The full InChI is InChI=1S/C23H30F2N6O/c1-16(29-8-9-30-11-20(22(2,3)4)28-21(30)12-29)23(32-5,13-31-15-26-14-27-31)18-7-6-17(24)10-19(18)25/h6-7,10-11,14-16H,8-9,12-13H2,1-5H3/t16-,23?/m1/s1.
What are the key properties of 2-tert-butyl-7-[(2R)-3-(2,4-difluorophenyl)-3-methoxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
2-tert-butyl-7-[(2R)-3-(2,4-difluorophenyl)-3-methoxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 444.53 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-[(2R)-3-(2,4-difluorophenyl)-3-methoxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 90327411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).