tert-butyl 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-methylpyrazin-2-yl]-7-methylindole-1-carboxylate

C25H30N4O4 — CID 167350636

IUPACtert-butyl 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-methylpyrazin-2-yl]-7-methylindole-1-carboxylate
SMILESCC(=O)N1CCC(Oc2ncc(-c3cn(C(=O)OC(C)(C)C)c4c(C)cccc34)nc2C)C1
InChIInChI=1S/C25H30N4O4/c1-15-8-7-9-19-20(14-29(22(15)19)24(31)33-25(4,5)6)21-12-26-23(16(2)27-21)32-18-10-11-28(13-18)17(3)30/h7-9,12,14,18H,10-11,13H2,1-6H3
InChIKeyQYUBKIPSTCKDIA-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.50
Rot. Bonds3

About tert-butyl 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-methylpyrazin-2-yl]-7-methylindole-1-carboxylate

tert-butyl 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-methylpyrazin-2-yl]-7-methylindole-1-carboxylate (PubChem CID 167350636) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is tert-butyl 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-methylpyrazin-2-yl]-7-methylindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-methylpyrazin-2-yl]-7-methylindole-1-carboxylate
PubChem CID167350636
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC Nametert-butyl 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-methylpyrazin-2-yl]-7-methylindole-1-carboxylate
SMILESCC(=O)N1CCC(Oc2ncc(-c3cn(C(=O)OC(C)(C)C)c4c(C)cccc34)nc2C)C1
InChIInChI=1S/C25H30N4O4/c1-15-8-7-9-19-20(14-29(22(15)19)24(31)33-25(4,5)6)21-12-26-23(16(2)27-21)32-18-10-11-28(13-18)17(3)30/h7-9,12,14,18H,10-11,13H2,1-6H3
InChIKeyQYUBKIPSTCKDIA-UHFFFAOYSA-N
XLogP4.50
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-methylpyrazin-2-yl]-7-methylindole-1-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

tert-butyl 3-[(3,5-dimethyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 134495004
tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 167350484
tert-butyl 7-methyl-3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]indole-1-carboxylate
CID 176569942
tert-butyl 3-(3-cyanoisoquinolin-1-yl)oxypyrrolidine-1-carboxylate;ethane
CID 145378880
tert-butyl (3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 97102850
tert-butyl 3-[5-(7-cyano-1H-indol-3-yl)pyrazin-2-yl]oxypyrrolidine-1-carboxylate
CID 167350834
tert-butyl 3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 24902580
tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 71634822
tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate
CID 118114502
1-[(3S)-3-[1-chloro-4-(2-methylphenyl)isoquinolin-7-yl]oxypyrrolidin-1-yl]ethanone
CID 167498375
tert-butyl 3-[(6-chloro-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 86696181
tert-butyl 4-[(5-amino-3-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 68624895

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-methylpyrazin-2-yl]-7-methylindole-1-carboxylate?
The IUPAC name of tert-butyl 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-methylpyrazin-2-yl]-7-methylindole-1-carboxylate (CID 167350636) is tert-butyl 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-methylpyrazin-2-yl]-7-methylindole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-methylpyrazin-2-yl]-7-methylindole-1-carboxylate?
The canonical SMILES for tert-butyl 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-methylpyrazin-2-yl]-7-methylindole-1-carboxylate is CC(=O)N1CCC(Oc2ncc(-c3cn(C(=O)OC(C)(C)C)c4c(C)cccc34)nc2C)C1.
What is the InChIKey of tert-butyl 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-methylpyrazin-2-yl]-7-methylindole-1-carboxylate?
The InChIKey is QYUBKIPSTCKDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-15-8-7-9-19-20(14-29(22(15)19)24(31)33-25(4,5)6)21-12-26-23(16(2)27-21)32-18-10-11-28(13-18)17(3)30/h7-9,12,14,18H,10-11,13H2,1-6H3.
What are the key properties of tert-butyl 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-methylpyrazin-2-yl]-7-methylindole-1-carboxylate?
tert-butyl 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-methylpyrazin-2-yl]-7-methylindole-1-carboxylate has a molecular weight of 450.54 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-methylpyrazin-2-yl]-7-methylindole-1-carboxylate is sourced from PubChem (CID 167350636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).