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

C29H23Cl2F2N5O4 — CID 142613137

IUPAC6-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
SMILESCOc1cc(OC(F)F)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)ccc1C)C2=O
InChIInChI=1S/C29H23Cl2F2N5O4/c1-13(2)37-24-23(36-25(37)17-12-34-22(42-28(32)33)11-21(17)41-4)26(39)38(20-10-16(31)6-5-14(20)3)29(24)18-8-7-15(30)9-19(18)35-27(29)40/h5-13,28H,1-4H3,(H,35,40)
InChIKeyNZZNAEJQAFMZRY-UHFFFAOYSA-N
MW614.44 g/mol
LogP6.61
Rot. Bonds6

About 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

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 (PubChem CID 142613137) has the molecular formula C29H23Cl2F2N5O4 and a molecular weight of 614.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID142613137
Molecular FormulaC29H23Cl2F2N5O4
Molecular Weight614.44 g/mol
Exact Mass613.11
IUPAC Name6-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
SMILESCOc1cc(OC(F)F)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)ccc1C)C2=O
InChIInChI=1S/C29H23Cl2F2N5O4/c1-13(2)37-24-23(36-25(37)17-12-34-22(42-28(32)33)11-21(17)41-4)26(39)38(20-10-16(31)6-5-14(20)3)29(24)18-8-7-15(30)9-19(18)35-27(29)40/h5-13,28H,1-4H3,(H,35,40)
InChIKeyNZZNAEJQAFMZRY-UHFFFAOYSA-N
XLogP6.61
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.44
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-2-(2,6-dimethoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 71678601
(4S)-4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-2-(4-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 145989243
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
4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-2-(3-methoxy-4-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86766861
5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2,6-dimethoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86766870
5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2-ethyl-6-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86766871
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
4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methyl-3-pyridinyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86766999
6-chloro-2-ethyl-N-[[4-[2-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 155519149
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(OC(F)F)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)ccc1C)C2=O.
What is the InChIKey of 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?
The InChIKey is NZZNAEJQAFMZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23Cl2F2N5O4/c1-13(2)37-24-23(36-25(37)17-12-34-22(42-28(32)33)11-21(17)41-4)26(39)38(20-10-16(31)6-5-14(20)3)29(24)18-8-7-15(30)9-19(18)35-27(29)40/h5-13,28H,1-4H3,(H,35,40).
What are the key properties of 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?
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 has a molecular weight of 614.44 g/mol, XLogP of 6.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142613137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).