tert-butyl 3-[[(2R)-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazin-2-yl]methyl]indole-1-carboxylate

C25H27N5O3 — CID 171550636

IUPACtert-butyl 3-[[(2R)-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazin-2-yl]methyl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(C[C@H]2NCCN(c3cn4ccccc4n3)C2=O)c2ccccc21
InChIInChI=1S/C25H27N5O3/c1-25(2,3)33-24(32)30-15-17(18-8-4-5-9-20(18)30)14-19-23(31)29(13-11-26-19)22-16-28-12-7-6-10-21(28)27-22/h4-10,12,15-16,19,26H,11,13-14H2,1-3H3/t19-/m1/s1
InChIKeyLGMKGTBNYKRPHX-LJQANCHMSA-N
MW445.52 g/mol
LogP3.62
Rot. Bonds3

About tert-butyl 3-[[(2R)-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazin-2-yl]methyl]indole-1-carboxylate

tert-butyl 3-[[(2R)-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazin-2-yl]methyl]indole-1-carboxylate (PubChem CID 171550636) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is tert-butyl 3-[[(2R)-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazin-2-yl]methyl]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(2R)-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazin-2-yl]methyl]indole-1-carboxylate
PubChem CID171550636
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Nametert-butyl 3-[[(2R)-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazin-2-yl]methyl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(C[C@H]2NCCN(c3cn4ccccc4n3)C2=O)c2ccccc21
InChIInChI=1S/C25H27N5O3/c1-25(2,3)33-24(32)30-15-17(18-8-4-5-9-20(18)30)14-19-23(31)29(13-11-26-19)22-16-28-12-7-6-10-21(28)27-22/h4-10,12,15-16,19,26H,11,13-14H2,1-3H3/t19-/m1/s1
InChIKeyLGMKGTBNYKRPHX-LJQANCHMSA-N
XLogP3.62
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[[(2R)-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazin-2-yl]methyl]indole-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate
CID 162624837
tert-butyl 3-[[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]methyl]indole-1-carboxylate
CID 71299397
tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]indole-1-carboxylate
CID 11719273
tert-butyl (4S)-2,2-dimethyl-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-1,3-oxazolidine-3-carboxylate
CID 97135096
tert-butyl 3-(aminomethyl)indole-1-carboxylate
CID 10999341
tert-butyl 3-(3-hydroxybutyl)indole-1-carboxylate
CID 135013234
tert-butyl 3-[[(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]methyl]indole-1-carboxylate
CID 10554862
tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate
CID 168797696
3-[(4-fluorophenyl)methyl]-1-imidazo[1,2-a]pyridin-2-yl-4-methylpiperazin-2-one
CID 174290929
tert-butyl 3-(4-oxobutyl)indole-1-carboxylate
CID 172551966
dimethyl 2-methoxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]propanedioate
CID 10572537
tert-butyl 3-[(2S)-3-amino-2-methyl-3-oxopropyl]indole-1-carboxylate
CID 134493069

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(2R)-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazin-2-yl]methyl]indole-1-carboxylate?
The IUPAC name of tert-butyl 3-[[(2R)-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazin-2-yl]methyl]indole-1-carboxylate (CID 171550636) is tert-butyl 3-[[(2R)-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazin-2-yl]methyl]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(2R)-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazin-2-yl]methyl]indole-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[(2R)-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazin-2-yl]methyl]indole-1-carboxylate is CC(C)(C)OC(=O)n1cc(C[C@H]2NCCN(c3cn4ccccc4n3)C2=O)c2ccccc21.
What is the InChIKey of tert-butyl 3-[[(2R)-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazin-2-yl]methyl]indole-1-carboxylate?
The InChIKey is LGMKGTBNYKRPHX-LJQANCHMSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-25(2,3)33-24(32)30-15-17(18-8-4-5-9-20(18)30)14-19-23(31)29(13-11-26-19)22-16-28-12-7-6-10-21(28)27-22/h4-10,12,15-16,19,26H,11,13-14H2,1-3H3/t19-/m1/s1.
What are the key properties of tert-butyl 3-[[(2R)-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazin-2-yl]methyl]indole-1-carboxylate?
tert-butyl 3-[[(2R)-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazin-2-yl]methyl]indole-1-carboxylate has a molecular weight of 445.52 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(2R)-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazin-2-yl]methyl]indole-1-carboxylate is sourced from PubChem (CID 171550636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).