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

C30H26Cl2FN5O4 — CID 150021043

IUPAC(3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
SMILESCOc1cc(OCCF)ncc1-c1nc2c(n1C(C)C)[C@]1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)ccc1C)C2=O
InChIInChI=1S/C30H26Cl2FN5O4/c1-15(2)37-26-25(36-27(37)19-14-34-24(42-10-9-33)13-23(19)41-4)28(39)38(22-12-18(32)6-5-16(22)3)30(26)20-8-7-17(31)11-21(20)35-29(30)40/h5-8,11-15H,9-10H2,1-4H3,(H,35,40)/t30-/m1/s1
InChIKeyDFGJAQKMAVVZBG-SSEXGKCCSA-N
MW610.47 g/mol
LogP6.35
Rot. Bonds7

About (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-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'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 150021043) has the molecular formula C30H26Cl2FN5O4 and a molecular weight of 610.47 g/mol. Its IUPAC name is (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-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'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
PubChem CID150021043
Molecular FormulaC30H26Cl2FN5O4
Molecular Weight610.47 g/mol
Exact Mass609.13
IUPAC Name(3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
SMILESCOc1cc(OCCF)ncc1-c1nc2c(n1C(C)C)[C@]1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)ccc1C)C2=O
InChIInChI=1S/C30H26Cl2FN5O4/c1-15(2)37-26-25(36-27(37)19-14-34-24(42-10-9-33)13-23(19)41-4)28(39)38(22-12-18(32)6-5-16(22)3)30(26)20-8-7-17(31)11-21(20)35-29(30)40/h5-8,11-15H,9-10H2,1-4H3,(H,35,40)/t30-/m1/s1
InChIKeyDFGJAQKMAVVZBG-SSEXGKCCSA-N
XLogP6.35
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.47
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione with MolForge

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Related Compounds

2-[5-[5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxy-3-pyridinyl]-N-methylacetamide
CID 71679445
2-[4-[5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-5-methoxy-2-pyridinyl]-N-methylacetamide
CID 86766938
2-[5-[5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxy-3-pyridinyl]acetonitrile
CID 86766944
2-{5-[5-(5-Chloro-2-methyl-phenyl)-6-(4-cyano-phenyl)-1-isopropyl-4-oxo-1,4,5,6-tetrahydro-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxy-pyridin-3-yl}-N-methyl-acetamide
CID 86707777
4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-2-(2-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86766855
ethyl 2-[5-[5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxy-3-pyridinyl]acetate
CID 86766953
(3S)-6-chloro-2''-(3,4-difluorophenyl)-5''-(2,4-dimethoxypyrimidin-5-yl)-6''-(propan-2-yl)-1,2,3'',5''-tetrahydro-2''H-spiro[indole-3,1''-pyrrolo[3,4-c]pyrrole]-2,3''-dione
CID 139298734
(3S)-6-chloro-2''-(5-chloro-2-fluorophenyl)-5''-(4,6-dimethoxypyridin-3-yl)-6''-(propan-2-yl)-1,2,3'',5''-tetrahydro-2''H-spiro[indole-3,1''-pyrrolo[3,4-c]pyrrole]-2,3''-dione
CID 139298737
(3S)-6-chloro-2''-(5-chloro-2-fluorophenyl)-6''-(propan-2-yl)-5''-(2,4,6-trimethoxypyrimidin-5-yl)-1,2,3'',5''-tetrahydro-2''H-spiro[indole-3,1''-pyrrolo[3,4-c]pyrrole]-2,3''-dione
CID 139298739
(3S)-6-chloro-2''-(5-chloro-2,4-difluorophenyl)-5''-(2,4-dimethoxypyrimidin-5-yl)-6''-(propan-2-yl)-1,2,3'',5''-tetrahydro-2''H-spiro[indole-3,1''-pyrrolo[3,4-c]pyrrole]-2,3''-dione
CID 139298744
(3S)-6-chloro-2''-(3-chloro-4-fluorophenyl)-5''-(2,4-dimethoxypyrimidin-5-yl)-6''-(propan-2-yl)-1,2,3'',5''-tetrahydro-2''H-spiro[indole-3,1''-pyrrolo[3,4-c]pyrrole]-2,3''-dione
CID 139298749
(3S)-6-chloro-2''-(5-chloro-2-fluorophenyl)-5''-[6-(dimethylamino)-4-methoxypyridin-3-yl]-6''-(propan-2-yl)-1,2,3'',5''-tetrahydro-2''H-spiro[indole-3,1''-pyrrolo[3,4-c]pyrrole]-2,3''-dione
CID 139298753

Frequently Asked Questions

What is the IUPAC name of (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-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'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 150021043) is (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-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'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-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'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is COc1cc(OCCF)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'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?
The InChIKey is DFGJAQKMAVVZBG-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H26Cl2FN5O4/c1-15(2)37-26-25(36-27(37)19-14-34-24(42-10-9-33)13-23(19)41-4)28(39)38(22-12-18(32)6-5-16(22)3)30(26)20-8-7-17(31)11-21(20)35-29(30)40/h5-8,11-15H,9-10H2,1-4H3,(H,35,40)/t30-/m1/s1.
What are the key properties of (3R)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-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'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione has a molecular weight of 610.47 g/mol, XLogP of 6.35, 7 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'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is sourced from PubChem (CID 150021043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).