ethyl 5-[4-[methoxy-[(4-methoxyphenyl)methyl]carbamoyl]pyrimidin-2-yl]-1H-indole-2-carboxylate

C25H24N4O5 — CID 87226880

IUPACethyl 5-[4-[methoxy-[(4-methoxyphenyl)methyl]carbamoyl]pyrimidin-2-yl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(-c3nccc(C(=O)N(Cc4ccc(OC)cc4)OC)n3)ccc2[nH]1
InChIInChI=1S/C25H24N4O5/c1-4-34-25(31)22-14-18-13-17(7-10-20(18)27-22)23-26-12-11-21(28-23)24(30)29(33-3)15-16-5-8-19(32-2)9-6-16/h5-14,27H,4,15H2,1-3H3
InChIKeyHSDCTAKKOHELLL-UHFFFAOYSA-N
MW460.49 g/mol
LogP4.01
Rot. Bonds8

About ethyl 5-[4-[methoxy-[(4-methoxyphenyl)methyl]carbamoyl]pyrimidin-2-yl]-1H-indole-2-carboxylate

ethyl 5-[4-[methoxy-[(4-methoxyphenyl)methyl]carbamoyl]pyrimidin-2-yl]-1H-indole-2-carboxylate (PubChem CID 87226880) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is ethyl 5-[4-[methoxy-[(4-methoxyphenyl)methyl]carbamoyl]pyrimidin-2-yl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-[methoxy-[(4-methoxyphenyl)methyl]carbamoyl]pyrimidin-2-yl]-1H-indole-2-carboxylate
PubChem CID87226880
Molecular FormulaC25H24N4O5
Molecular Weight460.49 g/mol
Exact Mass460.17
IUPAC Nameethyl 5-[4-[methoxy-[(4-methoxyphenyl)methyl]carbamoyl]pyrimidin-2-yl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(-c3nccc(C(=O)N(Cc4ccc(OC)cc4)OC)n3)ccc2[nH]1
InChIInChI=1S/C25H24N4O5/c1-4-34-25(31)22-14-18-13-17(7-10-20(18)27-22)23-26-12-11-21(28-23)24(30)29(33-3)15-16-5-8-19(32-2)9-6-16/h5-14,27H,4,15H2,1-3H3
InChIKeyHSDCTAKKOHELLL-UHFFFAOYSA-N
XLogP4.01
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 5-[4-[methoxy-[(4-methoxyphenyl)methyl]carbamoyl]pyrimidin-2-yl]-1H-indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-[2-[(4-phenylmethoxycarbonylphenyl)methylcarbamoyl]-4-pyridinyl]-1H-indole-2-carboxylate
CID 66989065
ethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate
CID 146012562
ethyl 2-(3-methoxyphenyl)pyrimidine-4-carboxylate
CID 113341045
ethyl 5-(2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl)-1H-indole-2-carboxylate
CID 177232598
ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate
CID 68691266
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
ethyl 5-[(7-methoxyisoquinoline-3-carbonyl)amino]-1H-indole-2-carboxylate
CID 10596479
ethyl 5-(4-cyanophenyl)-1H-indole-2-carboxylate
CID 68700480
ethyl 5-(cyclopentylmethoxy)-1H-indole-2-carboxylate
CID 139270847
ethyl 5-(1-propylpyrazol-4-yl)-1H-indole-2-carboxylate
CID 175663715
ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate
CID 172554681
ethyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]pyrimidine-4-carboxylate
CID 174475566

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-[methoxy-[(4-methoxyphenyl)methyl]carbamoyl]pyrimidin-2-yl]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-[4-[methoxy-[(4-methoxyphenyl)methyl]carbamoyl]pyrimidin-2-yl]-1H-indole-2-carboxylate (CID 87226880) is ethyl 5-[4-[methoxy-[(4-methoxyphenyl)methyl]carbamoyl]pyrimidin-2-yl]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-[4-[methoxy-[(4-methoxyphenyl)methyl]carbamoyl]pyrimidin-2-yl]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-[4-[methoxy-[(4-methoxyphenyl)methyl]carbamoyl]pyrimidin-2-yl]-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(-c3nccc(C(=O)N(Cc4ccc(OC)cc4)OC)n3)ccc2[nH]1.
What is the InChIKey of ethyl 5-[4-[methoxy-[(4-methoxyphenyl)methyl]carbamoyl]pyrimidin-2-yl]-1H-indole-2-carboxylate?
The InChIKey is HSDCTAKKOHELLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5/c1-4-34-25(31)22-14-18-13-17(7-10-20(18)27-22)23-26-12-11-21(28-23)24(30)29(33-3)15-16-5-8-19(32-2)9-6-16/h5-14,27H,4,15H2,1-3H3.
What are the key properties of ethyl 5-[4-[methoxy-[(4-methoxyphenyl)methyl]carbamoyl]pyrimidin-2-yl]-1H-indole-2-carboxylate?
ethyl 5-[4-[methoxy-[(4-methoxyphenyl)methyl]carbamoyl]pyrimidin-2-yl]-1H-indole-2-carboxylate has a molecular weight of 460.49 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-[methoxy-[(4-methoxyphenyl)methyl]carbamoyl]pyrimidin-2-yl]-1H-indole-2-carboxylate is sourced from PubChem (CID 87226880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).