azetidin-2-yl-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

C71H72F3N15O3 — CID 123274190

IUPACazetidin-2-yl-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C2CC(Cc4ccc(Nc5c(-c6ccc(F)cc6)nc6n5CCN(C(=O)C5CC(Cc7ccc(Nc8c(-c9ccc(F)cc9)nc9n8CCN(C(=O)C8CCN8)C9)cc7)CN5)C6)cc4)CN2)C3)cc1
InChIInChI=1S/C71H72F3N15O3/c1-43-2-20-54(21-3-43)78-66-63(48-8-14-51(72)15-9-48)82-61-41-85(29-32-88(61)66)70(91)58-36-46(38-76-58)35-45-6-24-56(25-7-45)80-68-65(50-12-18-53(74)19-13-50)83-62-42-86(30-33-89(62)68)71(92)59-37-47(39-77-59)34-44-4-22-55(23-5-44)79-67-64(49-10-16-52(73)17-11-49)81-60-40-84(28-31-87(60)67)69(90)57-26-27-75-57/h2-25,46-47,57-59,75-80H,26-42H2,1H3
InChIKeyCGARSIMPXNBGIJ-UHFFFAOYSA-N
MW1240.45 g/mol
LogP10.06
Rot. Bonds16

About azetidin-2-yl-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

azetidin-2-yl-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 123274190) has the molecular formula C71H72F3N15O3 and a molecular weight of 1240.45 g/mol. Its IUPAC name is azetidin-2-yl-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Nameazetidin-2-yl-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID123274190
Molecular FormulaC71H72F3N15O3
Molecular Weight1240.45 g/mol
Exact Mass1239.59
IUPAC Nameazetidin-2-yl-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C2CC(Cc4ccc(Nc5c(-c6ccc(F)cc6)nc6n5CCN(C(=O)C5CC(Cc7ccc(Nc8c(-c9ccc(F)cc9)nc9n8CCN(C(=O)C8CCN8)C9)cc7)CN5)C6)cc4)CN2)C3)cc1
InChIInChI=1S/C71H72F3N15O3/c1-43-2-20-54(21-3-43)78-66-63(48-8-14-51(72)15-9-48)82-61-41-85(29-32-88(61)66)70(91)58-36-46(38-76-58)35-45-6-24-56(25-7-45)80-68-65(50-12-18-53(74)19-13-50)83-62-42-86(30-33-89(62)68)71(92)59-37-47(39-77-59)34-44-4-22-55(23-5-44)79-67-64(49-10-16-52(73)17-11-49)81-60-40-84(28-31-87(60)67)69(90)57-26-27-75-57/h2-25,46-47,57-59,75-80H,26-42H2,1H3
InChIKeyCGARSIMPXNBGIJ-UHFFFAOYSA-N
XLogP10.06
TPSA186.57 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001240.45
LogP ≤ 510.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze azetidin-2-yl-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone with MolForge

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Related Compounds

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CID 138622533
N-[4-[(2S)-2-amino-3-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]phenyl]butanamide
CID 58178983
N-[4-[(2S)-2-amino-3-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]phenyl]pentanamide
CID 58179212
methyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[6-[(2R,5R)-5-[2-[(2S)-1-[(2S)-2-cyclohexyl-2-(methoxycarbonylamino)acetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-(3,5-difluoro-4-piperidin-1-ylphenyl)pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 58226581
methyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[6-[(2R,5R)-5-[2-[(2S)-1-[(2S)-2-cyclohexyl-2-(methoxycarbonylamino)acetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-[3,5-difluoro-4-(4-phenylpiperidin-1-yl)phenyl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 58226689
methyl N-[(2S)-1-[(2S)-2-[6-[(2R,5R)-1-[4-(2-azabicyclo[2.2.2]octan-2-yl)-3,5-difluorophenyl]-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
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2-Benzyl-5-[[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]amino]pentanamide
CID 67266301
1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(4-methylanilino)-2-phenylethanone
CID 67266370
[(1S)-2-[2-[6-[(2S,5R)-5-[2-[1-[2-(carboxyamino)-2-cyclohexylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-[3,5-difluoro-4-(4-phenylpiperidin-1-yl)phenyl]-2,3-dimethylpyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamic acid
CID 87082839

Frequently Asked Questions

What is the IUPAC name of azetidin-2-yl-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of azetidin-2-yl-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 123274190) is azetidin-2-yl-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for azetidin-2-yl-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for azetidin-2-yl-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C2CC(Cc4ccc(Nc5c(-c6ccc(F)cc6)nc6n5CCN(C(=O)C5CC(Cc7ccc(Nc8c(-c9ccc(F)cc9)nc9n8CCN(C(=O)C8CCN8)C9)cc7)CN5)C6)cc4)CN2)C3)cc1.
What is the InChIKey of azetidin-2-yl-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is CGARSIMPXNBGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H72F3N15O3/c1-43-2-20-54(21-3-43)78-66-63(48-8-14-51(72)15-9-48)82-61-41-85(29-32-88(61)66)70(91)58-36-46(38-76-58)35-45-6-24-56(25-7-45)80-68-65(50-12-18-53(74)19-13-50)83-62-42-86(30-33-89(62)68)71(92)59-37-47(39-77-59)34-44-4-22-55(23-5-44)79-67-64(49-10-16-52(73)17-11-49)81-60-40-84(28-31-87(60)67)69(90)57-26-27-75-57/h2-25,46-47,57-59,75-80H,26-42H2,1H3.
What are the key properties of azetidin-2-yl-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
azetidin-2-yl-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 1240.45 g/mol, XLogP of 10.06, 16 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-2-yl-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 123274190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).