5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide

C101H90F2N16O8S3 — CID 159860857

IUPAC5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide
SMILESCC1(c2cccc(-c3cccnc3)c2)N=C(N)N(Cc2cccc(N3CCCCS3(=O)=O)c2)C1=O.CN1C(=O)C[C@](c2cc(-c3ccc(F)c(C#N)c3)cs2)(C2CC2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(-c2ccccc2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(NS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C28H23FN4O3S.C28H23N3O.C26H27N5O3S.C19H17FN4OS/c29-24-16-7-8-17-25(24)37(35,36)32-23-15-9-10-20(18-23)19-33-26(34)28(31-27(33)30,21-11-3-1-4-12-21)22-13-5-2-6-14-22;29-27-30-28(24-15-6-2-7-16-24,25-17-8-3-9-18-25)26(32)31(27)20-21-11-10-14-23(19-21)22-12-4-1-5-13-22;1-26(22-10-5-8-20(16-22)21-9-6-12-28-17-21)24(32)30(25(27)29-26)18-19-7-4-11-23(15-19)31-13-2-3-14-35(31,33)34;1-24-17(25)8-19(14-3-4-14,23-18(24)22)16-7-13(10-26-16)11-2-5-15(20)12(6-11)9-21/h1-18,32H,19H2,(H2,30,31);1-19H,20H2,(H2,29,30);4-12,15-17H,2-3,13-14,18H2,1H3,(H2,27,29);2,5-7,10,14H,3-4,8H2,1H3,(H2,22,23)/t;;;19-/m...1/s1
InChIKeyNRCWWHDBOYZVEL-JEETYLFYSA-N
MW1790.13 g/mol
LogP15.64
Rot. Bonds20

About 5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide

5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide (PubChem CID 159860857) has the molecular formula C101H90F2N16O8S3 and a molecular weight of 1790.13 g/mol. Its IUPAC name is 5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide
PubChem CID159860857
Molecular FormulaC101H90F2N16O8S3
Molecular Weight1790.13 g/mol
Exact Mass1788.63
IUPAC Name5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide
SMILESCC1(c2cccc(-c3cccnc3)c2)N=C(N)N(Cc2cccc(N3CCCCS3(=O)=O)c2)C1=O.CN1C(=O)C[C@](c2cc(-c3ccc(F)c(C#N)c3)cs2)(C2CC2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(-c2ccccc2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(NS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C28H23FN4O3S.C28H23N3O.C26H27N5O3S.C19H17FN4OS/c29-24-16-7-8-17-25(24)37(35,36)32-23-15-9-10-20(18-23)19-33-26(34)28(31-27(33)30,21-11-3-1-4-12-21)22-13-5-2-6-14-22;29-27-30-28(24-15-6-2-7-16-24,25-17-8-3-9-18-25)26(32)31(27)20-21-11-10-14-23(19-21)22-12-4-1-5-13-22;1-26(22-10-5-8-20(16-22)21-9-6-12-28-17-21)24(32)30(25(27)29-26)18-19-7-4-11-23(15-19)31-13-2-3-14-35(31,33)34;1-24-17(25)8-19(14-3-4-14,23-18(24)22)16-7-13(10-26-16)11-2-5-15(20)12(6-11)9-21/h1-18,32H,19H2,(H2,30,31);1-19H,20H2,(H2,29,30);4-12,15-17H,2-3,13-14,18H2,1H3,(H2,27,29);2,5-7,10,14H,3-4,8H2,1H3,(H2,22,23)/t;;;19-/m...1/s1
InChIKeyNRCWWHDBOYZVEL-JEETYLFYSA-N
XLogP15.64
TPSA354.99 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms130
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001790.13
LogP ≤ 515.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide (CID 159860857) is 5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide is CC1(c2cccc(-c3cccnc3)c2)N=C(N)N(Cc2cccc(N3CCCCS3(=O)=O)c2)C1=O.CN1C(=O)C[C@](c2cc(-c3ccc(F)c(C#N)c3)cs2)(C2CC2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(-c2ccccc2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(NS(=O)(=O)c2ccccc2F)c1.
What is the InChIKey of 5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide?
The InChIKey is NRCWWHDBOYZVEL-JEETYLFYSA-N. The full InChI is InChI=1S/C28H23FN4O3S.C28H23N3O.C26H27N5O3S.C19H17FN4OS/c29-24-16-7-8-17-25(24)37(35,36)32-23-15-9-10-20(18-23)19-33-26(34)28(31-27(33)30,21-11-3-1-4-12-21)22-13-5-2-6-14-22;29-27-30-28(24-15-6-2-7-16-24,25-17-8-3-9-18-25)26(32)31(27)20-21-11-10-14-23(19-21)22-12-4-1-5-13-22;1-26(22-10-5-8-20(16-22)21-9-6-12-28-17-21)24(32)30(25(27)29-26)18-19-7-4-11-23(15-19)31-13-2-3-14-35(31,33)34;1-24-17(25)8-19(14-3-4-14,23-18(24)22)16-7-13(10-26-16)11-2-5-15(20)12(6-11)9-21/h1-18,32H,19H2,(H2,30,31);1-19H,20H2,(H2,29,30);4-12,15-17H,2-3,13-14,18H2,1H3,(H2,27,29);2,5-7,10,14H,3-4,8H2,1H3,(H2,22,23)/t;;;19-/m...1/s1.
What are the key properties of 5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide?
5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide has a molecular weight of 1790.13 g/mol, XLogP of 15.64, 20 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 159860857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).