tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-propan-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate

C24H36N4O4 — CID 155226204

IUPACtert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-propan-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate
SMILESCC(C)c1cn(C(=O)OC(C)(C)C)c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc12
InChIInChI=1S/C24H36N4O4/c1-16(2)18-15-28(22(30)32-24(6,7)8)19-14-25-20(13-17(18)19)26-9-11-27(12-10-26)21(29)31-23(3,4)5/h13-16H,9-12H2,1-8H3
InChIKeyMGTPMVHDOSSRMX-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.00
Rot. Bonds2

About tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-propan-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate

tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-propan-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate (PubChem CID 155226204) has the molecular formula C24H36N4O4 and a molecular weight of 444.58 g/mol. Its IUPAC name is tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-propan-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-propan-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate
PubChem CID155226204
Molecular FormulaC24H36N4O4
Molecular Weight444.58 g/mol
Exact Mass444.27
IUPAC Nametert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-propan-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate
SMILESCC(C)c1cn(C(=O)OC(C)(C)C)c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc12
InChIInChI=1S/C24H36N4O4/c1-16(2)18-15-28(22(30)32-24(6,7)8)19-14-25-20(13-17(18)19)26-9-11-27(12-10-26)21(29)31-23(3,4)5/h13-16H,9-12H2,1-8H3
InChIKeyMGTPMVHDOSSRMX-UHFFFAOYSA-N
XLogP5.00
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-propan-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[5-(1-hydroxypropyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate
CID 102545634
tert-butyl 4-(6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxylate
CID 66748395
tert-butyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-3-propan-2-ylindole-1-carboxylate
CID 138688682
tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 86690166
tert-butyl 4-[5-(difluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 67284193
tert-butyl 4-(4-ethynyl-5-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 175400380
tert-butyl 4-(6-pentan-3-ylpyrimidin-4-yl)piperazine-1-carboxylate
CID 126849691
tert-butyl 4-(6-tert-butylpyrimidin-4-yl)piperazine-1-carboxylate
CID 126850013
tert-butyl 4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 70812514
tert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate
CID 143289183
[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]thieno[3,2-c]pyridin-2-yl]boronic acid
CID 162432463
tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate
CID 145108987

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-propan-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-propan-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate (CID 155226204) is tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-propan-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-propan-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-propan-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate is CC(C)c1cn(C(=O)OC(C)(C)C)c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc12.
What is the InChIKey of tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-propan-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate?
The InChIKey is MGTPMVHDOSSRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O4/c1-16(2)18-15-28(22(30)32-24(6,7)8)19-14-25-20(13-17(18)19)26-9-11-27(12-10-26)21(29)31-23(3,4)5/h13-16H,9-12H2,1-8H3.
What are the key properties of tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-propan-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate?
tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-propan-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate has a molecular weight of 444.58 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-propan-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate is sourced from PubChem (CID 155226204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).