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

C29H25Cl2FN6O4 — CID 142613122

IUPAC6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-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)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)cnc1C)C2=O
InChIInChI=1S/C29H25Cl2FN6O4/c1-14(2)37-25-24(36-26(37)18-13-34-23(42-8-7-32)11-22(18)41-4)27(39)38(21-10-17(31)12-33-15(21)3)29(25)19-6-5-16(30)9-20(19)35-28(29)40/h5-6,9-14H,7-8H2,1-4H3,(H,35,40)
InChIKeyYPBHOQLASOWZEB-UHFFFAOYSA-N
MW611.46 g/mol
LogP5.75
Rot. Bonds7

About 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-[6-(2-fluoroethoxy)-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-methyl-3-pyridinyl)-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 142613122) has the molecular formula C29H25Cl2FN6O4 and a molecular weight of 611.46 g/mol. Its IUPAC name is 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-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 Name6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-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 CID142613122
Molecular FormulaC29H25Cl2FN6O4
Molecular Weight611.46 g/mol
Exact Mass610.13
IUPAC Name6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-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)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)cnc1C)C2=O
InChIInChI=1S/C29H25Cl2FN6O4/c1-14(2)37-25-24(36-26(37)18-13-34-23(42-8-7-32)11-22(18)41-4)27(39)38(21-10-17(31)12-33-15(21)3)29(25)19-6-5-16(30)9-20(19)35-28(29)40/h5-6,9-14H,7-8H2,1-4H3,(H,35,40)
InChIKeyYPBHOQLASOWZEB-UHFFFAOYSA-N
XLogP5.75
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.46
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-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 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-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 142613122) is 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-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 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-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 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-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)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)cnc1C)C2=O.
What is the InChIKey of 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-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 YPBHOQLASOWZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25Cl2FN6O4/c1-14(2)37-25-24(36-26(37)18-13-34-23(42-8-7-32)11-22(18)41-4)27(39)38(21-10-17(31)12-33-15(21)3)29(25)19-6-5-16(30)9-20(19)35-28(29)40/h5-6,9-14H,7-8H2,1-4H3,(H,35,40).
What are the key properties of 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-[6-(2-fluoroethoxy)-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-methyl-3-pyridinyl)-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 611.46 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-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 142613122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).