methyl 5-[(4R)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-4-deuterio-6-oxo-3-propan-2-ylpyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carboxylate

C28H25Cl2N5O5 — CID 171554944

IUPACmethyl 5-[(4R)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-4-deuterio-6-oxo-3-propan-2-ylpyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carboxylate
SMILES[2H][C@@]1(c2ccc(Cl)cc2)c2c(nc(-c3cc(C(=O)OC)cnc3OC)n2C(C)C)C(=O)N1c1cc(Cl)cn(C)c1=O
InChIInChI=1S/C28H25Cl2N5O5/c1-14(2)34-23-21(32-24(34)19-10-16(28(38)40-5)12-31-25(19)39-4)27(37)35(20-11-18(30)13-33(3)26(20)36)22(23)15-6-8-17(29)9-7-15/h6-14,22H,1-5H3/t22-/m1/s1/i22D
InChIKeyRIODKUNKBZZDBV-OQKMICCFSA-N
MW583.45 g/mol
LogP5.08
Rot. Bonds6

About methyl 5-[(4R)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-4-deuterio-6-oxo-3-propan-2-ylpyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carboxylate

methyl 5-[(4R)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-4-deuterio-6-oxo-3-propan-2-ylpyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carboxylate (PubChem CID 171554944) has the molecular formula C28H25Cl2N5O5 and a molecular weight of 583.45 g/mol. Its IUPAC name is methyl 5-[(4R)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-4-deuterio-6-oxo-3-propan-2-ylpyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4R)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-4-deuterio-6-oxo-3-propan-2-ylpyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carboxylate
PubChem CID171554944
Molecular FormulaC28H25Cl2N5O5
Molecular Weight583.45 g/mol
Exact Mass582.13
IUPAC Namemethyl 5-[(4R)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-4-deuterio-6-oxo-3-propan-2-ylpyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carboxylate
SMILES[2H][C@@]1(c2ccc(Cl)cc2)c2c(nc(-c3cc(C(=O)OC)cnc3OC)n2C(C)C)C(=O)N1c1cc(Cl)cn(C)c1=O
InChIInChI=1S/C28H25Cl2N5O5/c1-14(2)34-23-21(32-24(34)19-10-16(28(38)40-5)12-31-25(19)39-4)27(37)35(20-11-18(30)13-33(3)26(20)36)22(23)15-6-8-17(29)9-7-15/h6-14,22H,1-5H3/t22-/m1/s1/i22D
InChIKeyRIODKUNKBZZDBV-OQKMICCFSA-N
XLogP5.08
TPSA108.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.45
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 5-[(4R)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-4-deuterio-6-oxo-3-propan-2-ylpyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(4R)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 71679278
(4S)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 137137008
4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(1,5-dimethyl-2-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86767050
5-[(4R)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-N-[10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]decyl]-6-methoxypyridine-3-carboxamide
CID 171554345
5-[(4S)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]-6-methoxypyridine-3-carboxamide
CID 171554959
(4S)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-2-(2,4-dimethoxypyrimidin-5-yl)-4-ethenyl-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 146300289
3-[5-[2-[1-[5-[(4S)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]piperidin-4-yl]ethynyl]-3-methyl-2-oxobenzimidazol-1-yl]-1-methylpiperidine-2,6-dione
CID 171554757
3-[4-[[1-[5-[(4S)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]piperidin-4-yl]methoxy]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 171554984
(4S)-4-(4-chlorophenyl)-5-(1,5-dimethyl-2-oxo-3-pyridinyl)-2-[2-methoxy-5-[4-[2-[3-(3-methyl-2-oxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]ethynyl]piperidine-1-carbonyl]-3-pyridinyl]-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 171554823
5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 137301305
4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(1,4-dimethyl-6-oxo-2-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86767049
4-(4-chlorophenyl)-5-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 139500058

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4R)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-4-deuterio-6-oxo-3-propan-2-ylpyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 5-[(4R)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-4-deuterio-6-oxo-3-propan-2-ylpyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carboxylate (CID 171554944) is methyl 5-[(4R)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-4-deuterio-6-oxo-3-propan-2-ylpyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[(4R)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-4-deuterio-6-oxo-3-propan-2-ylpyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 5-[(4R)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-4-deuterio-6-oxo-3-propan-2-ylpyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carboxylate is [2H][C@@]1(c2ccc(Cl)cc2)c2c(nc(-c3cc(C(=O)OC)cnc3OC)n2C(C)C)C(=O)N1c1cc(Cl)cn(C)c1=O.
What is the InChIKey of methyl 5-[(4R)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-4-deuterio-6-oxo-3-propan-2-ylpyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carboxylate?
The InChIKey is RIODKUNKBZZDBV-OQKMICCFSA-N. The full InChI is InChI=1S/C28H25Cl2N5O5/c1-14(2)34-23-21(32-24(34)19-10-16(28(38)40-5)12-31-25(19)39-4)27(37)35(20-11-18(30)13-33(3)26(20)36)22(23)15-6-8-17(29)9-7-15/h6-14,22H,1-5H3/t22-/m1/s1/i22D.
What are the key properties of methyl 5-[(4R)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-4-deuterio-6-oxo-3-propan-2-ylpyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carboxylate?
methyl 5-[(4R)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-4-deuterio-6-oxo-3-propan-2-ylpyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carboxylate has a molecular weight of 583.45 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4R)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-4-deuterio-6-oxo-3-propan-2-ylpyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 171554944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).