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

C29H25Cl2FN6O4 — CID 142613150

IUPAC6-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
SMILESCOc1nc(OCCF)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)ccc1C)C2=O
InChIInChI=1S/C29H25Cl2FN6O4/c1-14(2)37-23-22(35-24(37)18-13-33-28(42-10-9-32)36-25(18)41-4)26(39)38(21-12-17(31)6-5-15(21)3)29(23)19-8-7-16(30)11-20(19)34-27(29)40/h5-8,11-14H,9-10H2,1-4H3,(H,34,40)
InChIKeyHXDIKPABPASBBJ-UHFFFAOYSA-N
MW611.46 g/mol
LogP5.75
Rot. Bonds7

About 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

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 (PubChem CID 142613150) has the molecular formula C29H25Cl2FN6O4 and a molecular weight of 611.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID142613150
Molecular FormulaC29H25Cl2FN6O4
Molecular Weight611.46 g/mol
Exact Mass610.13
IUPAC Name6-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
SMILESCOc1nc(OCCF)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)ccc1C)C2=O
InChIInChI=1S/C29H25Cl2FN6O4/c1-14(2)37-23-22(35-24(37)18-13-33-28(42-10-9-32)36-25(18)41-4)26(39)38(21-12-17(31)6-5-15(21)3)29(23)19-8-7-16(30)11-20(19)34-27(29)40/h5-8,11-14H,9-10H2,1-4H3,(H,34,40)
InChIKeyHXDIKPABPASBBJ-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-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 with MolForge

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Related Compounds

(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
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
(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
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
(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
(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'-(4-methoxy-2-propan-2-ylpyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-[6-(2-fluoroethoxy)-4-methoxy-3-pyridinyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-[2-(2-fluoroethoxy)-4-methoxypyrimidin-5-yl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chlorophenyl)-2'-[2-(2-fluoroethoxy)-4-methoxypyrimidin-5-yl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 160906196
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)-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
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1nc(OCCF)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'-[2-(2-fluoroethoxy)-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?
The InChIKey is HXDIKPABPASBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25Cl2FN6O4/c1-14(2)37-23-22(35-24(37)18-13-33-28(42-10-9-32)36-25(18)41-4)26(39)38(21-12-17(31)6-5-15(21)3)29(23)19-8-7-16(30)11-20(19)34-27(29)40/h5-8,11-14H,9-10H2,1-4H3,(H,34,40).
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 142613150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).