bis((5R)-5-[4-(5-aminopyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione);(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione — IUPAC name, SMILES, InChIKey & properties

Name: bis((5R)-5-[4-(5-aminopyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione);(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About bis((5R)-5-[4-(5-aminopyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione);(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione

bis((5R)-5-[4-(5-aminopyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione);(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 159592535) has the molecular formula C89H77ClN20O14 and a molecular weight of 1686.17 g/mol. Its IUPAC name is bis((5R)-5-[4-(5-aminopyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione);(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name	bis((5R)-5-[4-(5-aminopyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione);(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID	159592535
Molecular Formula	C89H77ClN20O14
Molecular Weight	1686.17 g/mol
Exact Mass	1684.56
IUPAC Name	bis((5R)-5-[4-(5-aminopyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione);(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
SMILES	COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnc(N)cn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnc(N)cn4)cc3)NC(=O)NC1=O)C2.O=C1NC(=O)[C@](CN2Cc3ccc(Cl)cc3C2=O)(c2ccc(-c3cnn(CC4CC4)c3)cc2)N1.O=C1NC(=O)[C@](CN2Cc3ccccc3C2=O)(c2ccccc2)N1
InChI	InChI=1S/C25H22ClN5O3.2C23H20N6O4.C18H15N3O3/c26-20-8-5-17-12-30(22(32)21(17)9-20)14-25(23(33)28-24(34)29-25)19-6-3-16(4-7-19)18-10-27-31(13-18)11-15-1-2-15;21-33-16-7-4-14-11-29(20(30)17(14)8-16)12-23(21(31)27-22(32)28-23)15-5-2-13(3-6-15)18-9-26-19(24)10-25-18;22-15-14-9-5-4-6-12(14)10-21(15)11-18(13-7-2-1-3-8-13)16(23)19-17(24)20-18/h3-10,13,15H,1-2,11-12,14H2,(H2,28,29,33,34);22-10H,11-12H2,1H3,(H2,24,26)(H2,27,28,31,32);1-9H,10-11H2,(H2,19,20,23,24)/t25-;2*23-;18-/m0000/s1
InChIKey	MKKPPRLXLSFOKH-MVYAFKLZSA-N
XLogP	7.53
TPSA	453.92 Å²
H-Bond Donors	10
H-Bond Acceptors	22
Rotatable Bonds	19
Heavy Atoms	124
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1686.17
LogP ≤ 5	7.53
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze bis((5R)-5-[4-(5-aminopyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione);(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis((5R)-5-[4-(5-aminopyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione);(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione?

The IUPAC name of bis((5R)-5-[4-(5-aminopyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione);(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione (CID 159592535) is bis((5R)-5-[4-(5-aminopyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione);(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione.

What is the SMILES notation for bis((5R)-5-[4-(5-aminopyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione);(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione?

The canonical SMILES for bis((5R)-5-[4-(5-aminopyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione);(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnc(N)cn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnc(N)cn4)cc3)NC(=O)NC1=O)C2.O=C1NC(=O)[C@](CN2Cc3ccc(Cl)cc3C2=O)(c2ccc(-c3cnn(CC4CC4)c3)cc2)N1.O=C1NC(=O)[C@](CN2Cc3ccccc3C2=O)(c2ccccc2)N1.

What is the InChIKey of bis((5R)-5-[4-(5-aminopyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione);(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione?

The InChIKey is MKKPPRLXLSFOKH-MVYAFKLZSA-N. The full InChI is InChI=1S/C25H22ClN5O3.2C23H20N6O4.C18H15N3O3/c26-20-8-5-17-12-30(22(32)21(17)9-20)14-25(23(33)28-24(34)29-25)19-6-3-16(4-7-19)18-10-27-31(13-18)11-15-1-2-15;2*1-33-16-7-4-14-11-29(20(30)17(14)8-16)12-23(21(31)27-22(32)28-23)15-5-2-13(3-6-15)18-9-26-19(24)10-25-18;22-15-14-9-5-4-6-12(14)10-21(15)11-18(13-7-2-1-3-8-13)16(23)19-17(24)20-18/h3-10,13,15H,1-2,11-12,14H2,(H2,28,29,33,34);2*2-10H,11-12H2,1H3,(H2,24,26)(H2,27,28,31,32);1-9H,10-11H2,(H2,19,20,23,24)/t25-;2*23-;18-/m0000/s1.

What are the key properties of bis((5R)-5-[4-(5-aminopyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione);(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione?

Where does this data come from?

All data for bis((5R)-5-[4-(5-aminopyrazin-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione);(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 159592535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).