(3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-2-propan-2-ylpyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

C30H28Cl2N6O3 — CID 152517648

IUPAC(3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-2-propan-2-ylpyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
SMILESCOc1nc(C(C)C)ncc1-c1nc2c(n1C(C)C)[C@]1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)ccc1C)C2=O
InChIInChI=1S/C30H28Cl2N6O3/c1-14(2)25-33-13-19(27(36-25)41-6)26-35-23-24(37(26)15(3)4)30(20-10-9-17(31)11-21(20)34-29(30)40)38(28(23)39)22-12-18(32)8-7-16(22)5/h7-15H,1-6H3,(H,34,40)/t30-/m1/s1
InChIKeyYGWAMLUPQRCNHC-SSEXGKCCSA-N
MW591.50 g/mol
LogP6.52
Rot. Bonds5

About (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-2-propan-2-ylpyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

(3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-2-propan-2-ylpyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 152517648) has the molecular formula C30H28Cl2N6O3 and a molecular weight of 591.50 g/mol. Its IUPAC name is (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-2-propan-2-ylpyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

Molecular Properties

Compound Name(3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-2-propan-2-ylpyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
PubChem CID152517648
Molecular FormulaC30H28Cl2N6O3
Molecular Weight591.50 g/mol
Exact Mass590.16
IUPAC Name(3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-2-propan-2-ylpyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
SMILESCOc1nc(C(C)C)ncc1-c1nc2c(n1C(C)C)[C@]1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)ccc1C)C2=O
InChIInChI=1S/C30H28Cl2N6O3/c1-14(2)25-33-13-19(27(36-25)41-6)26-35-23-24(37(26)15(3)4)30(20-10-9-17(31)11-21(20)34-29(30)40)38(28(23)39)22-12-18(32)8-7-16(22)5/h7-15H,1-6H3,(H,34,40)/t30-/m1/s1
InChIKeyYGWAMLUPQRCNHC-SSEXGKCCSA-N
XLogP6.52
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.50
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 151346571
6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[2-(2-fluoroethoxy)-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 142613150
(3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[4-methoxy-2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 156656602
6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 142613209
(3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-6-methyl-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 150976754
5'-(5-chloro-2-methylphenyl)-2'-[2-(2-hydroxyethoxy)-4-methoxypyrimidin-5-yl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 159285950
(3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(3-methoxy-4-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 156656641
(3R)-6-chloro-5'-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 156656481
6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[6-(difluoromethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 142613137
(3S)-2'-(4-amino-2-methoxy-5-methylphenyl)-6-chloro-5'-(5-chloro-2-methylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 156656616
(3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-ethoxy-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 156656603
6-chloro-5'-(3-chlorophenyl)-2'-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 142613231

Frequently Asked Questions

What is the IUPAC name of (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-2-propan-2-ylpyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?
The IUPAC name of (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-2-propan-2-ylpyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 152517648) is (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-2-propan-2-ylpyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.
What is the SMILES notation for (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-2-propan-2-ylpyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?
The canonical SMILES for (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-2-propan-2-ylpyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is COc1nc(C(C)C)ncc1-c1nc2c(n1C(C)C)[C@]1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)ccc1C)C2=O.
What is the InChIKey of (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-2-propan-2-ylpyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?
The InChIKey is YGWAMLUPQRCNHC-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H28Cl2N6O3/c1-14(2)25-33-13-19(27(36-25)41-6)26-35-23-24(37(26)15(3)4)30(20-10-9-17(31)11-21(20)34-29(30)40)38(28(23)39)22-12-18(32)8-7-16(22)5/h7-15H,1-6H3,(H,34,40)/t30-/m1/s1.
What are the key properties of (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-2-propan-2-ylpyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?
(3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-2-propan-2-ylpyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione has a molecular weight of 591.50 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-2-propan-2-ylpyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is sourced from PubChem (CID 152517648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).