ethyl 4-[2-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetyl]piperazine-1-carboxylate

C20H25N5O4 — CID 110625495

IUPACethyl 4-[2-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)c2nc(C3CC3)n3ccccc23)CC1
InChIInChI=1S/C20H25N5O4/c1-2-29-20(28)24-11-9-23(10-12-24)16(26)13-21-19(27)17-15-5-3-4-8-25(15)18(22-17)14-6-7-14/h3-5,8,14H,2,6-7,9-13H2,1H3,(H,21,27)
InChIKeyWPASPAOSMUXLBA-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.24
Rot. Bonds5

About ethyl 4-[2-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetyl]piperazine-1-carboxylate (PubChem CID 110625495) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is ethyl 4-[2-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetyl]piperazine-1-carboxylate
PubChem CID110625495
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Nameethyl 4-[2-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)c2nc(C3CC3)n3ccccc23)CC1
InChIInChI=1S/C20H25N5O4/c1-2-29-20(28)24-11-9-23(10-12-24)16(26)13-21-19(27)17-15-5-3-4-8-25(15)18(22-17)14-6-7-14/h3-5,8,14H,2,6-7,9-13H2,1H3,(H,21,27)
InChIKeyWPASPAOSMUXLBA-UHFFFAOYSA-N
XLogP1.24
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[2-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetyl]piperazine-1-carboxylate with MolForge

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Related Compounds

3-cyclopropyl-N-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110633499
ethyl 4-[(3-cyclohexylimidazo[1,5-a]pyridine-1-carbonyl)amino]piperidine-1-carboxylate
CID 110413306
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide
CID 110626369
3-cyclopropyl-N-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 54580175
N-(3-acetamidopropyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide
CID 110630719
ethyl 4-[2-[(4,6-diphenylpyridine-2-carbonyl)amino]acetyl]piperazine-1-carboxylate
CID 46233357
ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2622961
ethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2568966
3-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 57453264
3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 110412652
N-(2-benzamidoethyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide
CID 110630596
ethyl 4-[2-[(2,6-dimethoxybenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 110285411

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetyl]piperazine-1-carboxylate (CID 110625495) is ethyl 4-[2-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNC(=O)c2nc(C3CC3)n3ccccc23)CC1.
What is the InChIKey of ethyl 4-[2-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetyl]piperazine-1-carboxylate?
The InChIKey is WPASPAOSMUXLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-2-29-20(28)24-11-9-23(10-12-24)16(26)13-21-19(27)17-15-5-3-4-8-25(15)18(22-17)14-6-7-14/h3-5,8,14H,2,6-7,9-13H2,1H3,(H,21,27).
What are the key properties of ethyl 4-[2-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetyl]piperazine-1-carboxylate has a molecular weight of 399.45 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 110625495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).