tert-butyl 5-[5-[2-[(4-methoxy-5-methyl-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate

C26H34N4O4 — CID 170715565

IUPACtert-butyl 5-[5-[2-[(4-methoxy-5-methyl-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
SMILESCOc1cc(NC(=O)Cc2ccc(C3CC4CN(C(=O)OC(C)(C)C)CC4C3)nc2)ncc1C
InChIInChI=1S/C26H34N4O4/c1-16-12-28-23(11-22(16)33-5)29-24(31)8-17-6-7-21(27-13-17)18-9-19-14-30(15-20(19)10-18)25(32)34-26(2,3)4/h6-7,11-13,18-20H,8-10,14-15H2,1-5H3,(H,28,29,31)
InChIKeyIHQCQGUQOBEYFX-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.34
Rot. Bonds5

About tert-butyl 5-[5-[2-[(4-methoxy-5-methyl-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate

tert-butyl 5-[5-[2-[(4-methoxy-5-methyl-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate (PubChem CID 170715565) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is tert-butyl 5-[5-[2-[(4-methoxy-5-methyl-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[5-[2-[(4-methoxy-5-methyl-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
PubChem CID170715565
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Nametert-butyl 5-[5-[2-[(4-methoxy-5-methyl-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
SMILESCOc1cc(NC(=O)Cc2ccc(C3CC4CN(C(=O)OC(C)(C)C)CC4C3)nc2)ncc1C
InChIInChI=1S/C26H34N4O4/c1-16-12-28-23(11-22(16)33-5)29-24(31)8-17-6-7-21(27-13-17)18-9-19-14-30(15-20(19)10-18)25(32)34-26(2,3)4/h6-7,11-13,18-20H,8-10,14-15H2,1-5H3,(H,28,29,31)
InChIKeyIHQCQGUQOBEYFX-UHFFFAOYSA-N
XLogP4.34
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 5-[5-[2-[(4-methoxy-5-methyl-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]piperidine-1-carboxylate
CID 170715645
tert-butyl 4-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170715592
tert-butyl 3-[(4-methoxy-3-methylphenyl)methylamino]azetidine-1-carboxylate
CID 103748537
tert-butyl 3-(5-bromo-2-pyridinyl)azetidine-1-carboxylate
CID 140882194
tert-butyl 5-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-3-methoxy-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170715780
tert-butyl 4-[5-[2-[[5-chloro-4-[1-(dimethylamino)propan-2-yloxy]-2-pyridinyl]amino]-2-oxoethyl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170715530
tert-butyl (3aS,4R,6aR)-4-[2-(3-fluoro-4-methoxyphenyl)acetyl]oxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 96519651
tert-butyl (3aS,6aR)-5-[(5-iodopyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 156511261
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate;ethane
CID 164877477
lithium 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyridine-3-carboxylate
CID 138689723
tert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate
CID 168895574
tert-butyl 6-[(6-methyl-3-pyridinyl)methylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238468

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[5-[2-[(4-methoxy-5-methyl-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate?
The IUPAC name of tert-butyl 5-[5-[2-[(4-methoxy-5-methyl-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate (CID 170715565) is tert-butyl 5-[5-[2-[(4-methoxy-5-methyl-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate.
What is the SMILES notation for tert-butyl 5-[5-[2-[(4-methoxy-5-methyl-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate?
The canonical SMILES for tert-butyl 5-[5-[2-[(4-methoxy-5-methyl-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate is COc1cc(NC(=O)Cc2ccc(C3CC4CN(C(=O)OC(C)(C)C)CC4C3)nc2)ncc1C.
What is the InChIKey of tert-butyl 5-[5-[2-[(4-methoxy-5-methyl-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate?
The InChIKey is IHQCQGUQOBEYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-16-12-28-23(11-22(16)33-5)29-24(31)8-17-6-7-21(27-13-17)18-9-19-14-30(15-20(19)10-18)25(32)34-26(2,3)4/h6-7,11-13,18-20H,8-10,14-15H2,1-5H3,(H,28,29,31).
What are the key properties of tert-butyl 5-[5-[2-[(4-methoxy-5-methyl-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate?
tert-butyl 5-[5-[2-[(4-methoxy-5-methyl-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate has a molecular weight of 466.58 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[5-[2-[(4-methoxy-5-methyl-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate is sourced from PubChem (CID 170715565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).