(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

C27H23Cl2N7O5 — CID 156656481

IUPAC(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
SMILESCOc1ncc(-c2nc3c(n2C(C)C)[C@]2(C(=O)Nc4cc(Cl)ccc42)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1
InChIInChI=1S/C27H23Cl2N7O5/c1-12(2)35-20-19(32-21(35)15-10-30-26(41-5)33-22(15)40-4)24(38)36(18-9-14(29)11-34(3)23(18)37)27(20)16-7-6-13(28)8-17(16)31-25(27)39/h6-12H,1-5H3,(H,31,39)/t27-/m1/s1
InChIKeyQIWVFLVZNNEJQO-HHHXNRCGSA-N
MW596.43 g/mol
LogP3.80
Rot. Bonds5

About (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

(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 (PubChem CID 156656481) has the molecular formula C27H23Cl2N7O5 and a molecular weight of 596.43 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID156656481
Molecular FormulaC27H23Cl2N7O5
Molecular Weight596.43 g/mol
Exact Mass595.11
IUPAC Name(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
SMILESCOc1ncc(-c2nc3c(n2C(C)C)[C@]2(C(=O)Nc4cc(Cl)ccc42)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1
InChIInChI=1S/C27H23Cl2N7O5/c1-12(2)35-20-19(32-21(35)15-10-30-26(41-5)33-22(15)40-4)24(38)36(18-9-14(29)11-34(3)23(18)37)27(20)16-7-6-13(28)8-17(16)31-25(27)39/h6-12H,1-5H3,(H,31,39)/t27-/m1/s1
InChIKeyQIWVFLVZNNEJQO-HHHXNRCGSA-N
XLogP3.80
TPSA133.47 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (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 with MolForge

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Related Compounds

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
(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
(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
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'-(3-chlorophenyl)-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 156656639
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
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
(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
5'-(3-chlorophenyl)-2'-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 160972819
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ncc(-c2nc3c(n2C(C)C)[C@]2(C(=O)Nc4cc(Cl)ccc42)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1.
What is the InChIKey of (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?
The InChIKey is QIWVFLVZNNEJQO-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H23Cl2N7O5/c1-12(2)35-20-19(32-21(35)15-10-30-26(41-5)33-22(15)40-4)24(38)36(18-9-14(29)11-34(3)23(18)37)27(20)16-7-6-13(28)8-17(16)31-25(27)39/h6-12H,1-5H3,(H,31,39)/t27-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 596.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 156656481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).