2-methoxyethyl 2,4-dimethyl-5-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate

C25H26N4O4 — CID 55756616

IUPAC2-methoxyethyl 2,4-dimethyl-5-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCOCCOC(=O)c1c(C)[nH]c(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)c1C
InChIInChI=1S/C25H26N4O4/c1-15-9-8-12-29-22(15)27-21(18-10-6-5-7-11-18)23(29)28-24(30)20-16(2)19(17(3)26-20)25(31)33-14-13-32-4/h5-12,26H,13-14H2,1-4H3,(H,28,30)
InChIKeyHDRPPUIIDIDKNK-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.31
Rot. Bonds7

About 2-methoxyethyl 2,4-dimethyl-5-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate

2-methoxyethyl 2,4-dimethyl-5-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate (PubChem CID 55756616) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-methoxyethyl 2,4-dimethyl-5-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 2,4-dimethyl-5-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate
PubChem CID55756616
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name2-methoxyethyl 2,4-dimethyl-5-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCOCCOC(=O)c1c(C)[nH]c(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)c1C
InChIInChI=1S/C25H26N4O4/c1-15-9-8-12-29-22(15)27-21(18-10-6-5-7-11-18)23(29)28-24(30)20-16(2)19(17(3)26-20)25(31)33-14-13-32-4/h5-12,26H,13-14H2,1-4H3,(H,28,30)
InChIKeyHDRPPUIIDIDKNK-UHFFFAOYSA-N
XLogP4.31
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2,4-dimethyl-5-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of 2-methoxyethyl 2,4-dimethyl-5-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate (CID 55756616) is 2-methoxyethyl 2,4-dimethyl-5-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 2,4-dimethyl-5-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 2,4-dimethyl-5-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate is COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)c1C.
What is the InChIKey of 2-methoxyethyl 2,4-dimethyl-5-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate?
The InChIKey is HDRPPUIIDIDKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-15-9-8-12-29-22(15)27-21(18-10-6-5-7-11-18)23(29)28-24(30)20-16(2)19(17(3)26-20)25(31)33-14-13-32-4/h5-12,26H,13-14H2,1-4H3,(H,28,30).
What are the key properties of 2-methoxyethyl 2,4-dimethyl-5-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate?
2-methoxyethyl 2,4-dimethyl-5-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate has a molecular weight of 446.51 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2,4-dimethyl-5-[(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 55756616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).