ethyl 4-[[2-[(5-tert-butyl-2-methoxy-3-pyridinyl)carbamoyl]-1-methylindol-7-yl]methyl]piperazine-1-carboxylate

C28H37N5O4 — CID 58608257

IUPACethyl 4-[[2-[(5-tert-butyl-2-methoxy-3-pyridinyl)carbamoyl]-1-methylindol-7-yl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2cccc3cc(C(=O)Nc4cc(C(C)(C)C)cnc4OC)n(C)c23)CC1
InChIInChI=1S/C28H37N5O4/c1-7-37-27(35)33-13-11-32(12-14-33)18-20-10-8-9-19-15-23(31(5)24(19)20)25(34)30-22-16-21(28(2,3)4)17-29-26(22)36-6/h8-10,15-17H,7,11-14,18H2,1-6H3,(H,30,34)
InChIKeySTFHALYOJYRMBT-UHFFFAOYSA-N
MW507.64 g/mol
LogP4.41
Rot. Bonds6

About ethyl 4-[[2-[(5-tert-butyl-2-methoxy-3-pyridinyl)carbamoyl]-1-methylindol-7-yl]methyl]piperazine-1-carboxylate

ethyl 4-[[2-[(5-tert-butyl-2-methoxy-3-pyridinyl)carbamoyl]-1-methylindol-7-yl]methyl]piperazine-1-carboxylate (PubChem CID 58608257) has the molecular formula C28H37N5O4 and a molecular weight of 507.64 g/mol. Its IUPAC name is ethyl 4-[[2-[(5-tert-butyl-2-methoxy-3-pyridinyl)carbamoyl]-1-methylindol-7-yl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[(5-tert-butyl-2-methoxy-3-pyridinyl)carbamoyl]-1-methylindol-7-yl]methyl]piperazine-1-carboxylate
PubChem CID58608257
Molecular FormulaC28H37N5O4
Molecular Weight507.64 g/mol
Exact Mass507.28
IUPAC Nameethyl 4-[[2-[(5-tert-butyl-2-methoxy-3-pyridinyl)carbamoyl]-1-methylindol-7-yl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2cccc3cc(C(=O)Nc4cc(C(C)(C)C)cnc4OC)n(C)c23)CC1
InChIInChI=1S/C28H37N5O4/c1-7-37-27(35)33-13-11-32(12-14-33)18-20-10-8-9-19-15-23(31(5)24(19)20)25(34)30-22-16-21(28(2,3)4)17-29-26(22)36-6/h8-10,15-17H,7,11-14,18H2,1-6H3,(H,30,34)
InChIKeySTFHALYOJYRMBT-UHFFFAOYSA-N
XLogP4.41
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.64
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[2-[(5-tert-butyl-2-methoxy-3-pyridinyl)carbamoyl]-1-methylindol-7-yl]methyl]piperazine-1-carboxylate with MolForge

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Related Compounds

N-[5-tert-butyl-2-methoxy-3-(methylsulfanylamino)phenyl]-1-methyl-7-[(4-oxamoylpiperazin-1-yl)methyl]indole-2-carboxamide
CID 143195680
5-tert-butyl-2-methoxy-3-[[1-methyl-7-[[4-[(2S)-1-methylpyrrolidine-2-carbonyl]piperazin-1-yl]methyl]indole-2-carbonyl]amino]benzoic acid
CID 58493963
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[4-(1-methylazetidine-2-carbonyl)piperazin-1-yl]methyl]indole-2-carboxamide
CID 46190370
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[4-[(3S)-pyrrolidine-3-carbonyl]piperazin-1-yl]methyl]indole-2-carboxamide
CID 58493941
N-[3-[(4-butan-2-ylpiperidin-1-yl)methyl]-5-tert-butyl-2-methoxyphenyl]-1-methyl-7-[[4-[(2S)-1-methylpyrrolidine-2-carbonyl]piperazin-1-yl]methyl]indole-2-carboxamide
CID 143951422
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[4-(2-pyrrolidin-1-ylpropanoyl)piperazin-1-yl]methyl]indole-2-carboxamide
CID 46190417
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-[[4-(2,6-difluorobenzoyl)piperazin-1-yl]methyl]-1-methylindole-2-carboxamide
CID 58608283
ethyl 4-[[1-methyl-2-[[(E)-5-methylhex-2-en-2-yl]carbamoyl]indol-7-yl]methyl]piperazine-1-carboxylate
CID 143195677
methyl 1-[[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-methylindol-7-yl]methyl]pyrrolidine-3-carboxylate
CID 58608295
1-methyl-7-[(4-propanoylpiperazin-1-yl)methyl]indole-2-carboxylic acid
CID 68535416
[1-methyl-7-[[4-[(2S)-1-methylpyrrolidine-2-carbonyl]piperazin-1-yl]methyl]indol-2-yl] N-(5-tert-butyl-3-formyl-2-methoxyphenyl)carbamate
CID 87142181
7-(azepan-4-ylmethyl)-N-[5-tert-butyl-2-methoxy-3-(methylsulfanylamino)phenyl]-1-methylindole-2-carboxamide
CID 91154168

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(5-tert-butyl-2-methoxy-3-pyridinyl)carbamoyl]-1-methylindol-7-yl]methyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[(5-tert-butyl-2-methoxy-3-pyridinyl)carbamoyl]-1-methylindol-7-yl]methyl]piperazine-1-carboxylate (CID 58608257) is ethyl 4-[[2-[(5-tert-butyl-2-methoxy-3-pyridinyl)carbamoyl]-1-methylindol-7-yl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[(5-tert-butyl-2-methoxy-3-pyridinyl)carbamoyl]-1-methylindol-7-yl]methyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[(5-tert-butyl-2-methoxy-3-pyridinyl)carbamoyl]-1-methylindol-7-yl]methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(Cc2cccc3cc(C(=O)Nc4cc(C(C)(C)C)cnc4OC)n(C)c23)CC1.
What is the InChIKey of ethyl 4-[[2-[(5-tert-butyl-2-methoxy-3-pyridinyl)carbamoyl]-1-methylindol-7-yl]methyl]piperazine-1-carboxylate?
The InChIKey is STFHALYOJYRMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O4/c1-7-37-27(35)33-13-11-32(12-14-33)18-20-10-8-9-19-15-23(31(5)24(19)20)25(34)30-22-16-21(28(2,3)4)17-29-26(22)36-6/h8-10,15-17H,7,11-14,18H2,1-6H3,(H,30,34).
What are the key properties of ethyl 4-[[2-[(5-tert-butyl-2-methoxy-3-pyridinyl)carbamoyl]-1-methylindol-7-yl]methyl]piperazine-1-carboxylate?
ethyl 4-[[2-[(5-tert-butyl-2-methoxy-3-pyridinyl)carbamoyl]-1-methylindol-7-yl]methyl]piperazine-1-carboxylate has a molecular weight of 507.64 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(5-tert-butyl-2-methoxy-3-pyridinyl)carbamoyl]-1-methylindol-7-yl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 58608257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).