ethyl 4-[6-(4-methyl-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate

C21H24N4O2 — CID 162230999

IUPACethyl 4-[6-(4-methyl-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccnc3c2C=C(c2cc(C)ccn2)C3)CC1
InChIInChI=1S/C21H24N4O2/c1-3-27-21(26)25-10-8-24(9-11-25)20-5-7-23-19-14-16(13-17(19)20)18-12-15(2)4-6-22-18/h4-7,12-13H,3,8-11,14H2,1-2H3
InChIKeyZVKRZSHFINPCNV-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.16
Rot. Bonds3

About ethyl 4-[6-(4-methyl-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate

ethyl 4-[6-(4-methyl-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate (PubChem CID 162230999) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is ethyl 4-[6-(4-methyl-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(4-methyl-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
PubChem CID162230999
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Nameethyl 4-[6-(4-methyl-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccnc3c2C=C(c2cc(C)ccn2)C3)CC1
InChIInChI=1S/C21H24N4O2/c1-3-27-21(26)25-10-8-24(9-11-25)20-5-7-23-19-14-16(13-17(19)20)18-12-15(2)4-6-22-18/h4-7,12-13H,3,8-11,14H2,1-2H3
InChIKeyZVKRZSHFINPCNV-UHFFFAOYSA-N
XLogP3.16
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[6-(4-methyl-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[6-(5-cyano-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 158413507
ethyl 4-[6-[1-(oxetan-3-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 158956474
ethyl 4-(5-chloro-6-pyridin-2-yl-7H-cyclopenta[b]pyridin-4-yl)piperazine-1-carboxylate
CID 160981616
oxetan-3-yl 4-[6-(4,5-dimethyl-1,3-oxazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 160955719
ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate
CID 107876769
ethyl 4-(2-cyano-4-methylphenyl)piperazine-1-carboxylate
CID 107928001
ethyl 4-(2-fluoro-4-pyridinyl)piperazine-1-carboxylate
CID 114011876
ethyl 4-(2-iodo-4-nitrosophenyl)piperazine-1-carboxylate
CID 89203073
ethyl 4-[6-(1-methylpyrazol-4-yl)-5-methylsulfonyl-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 159399543
3,3,3-trifluoro-1-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]propan-1-one
CID 162013373
3-(4-ethoxycarbonylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 107877070
ethyl 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylate
CID 114011878

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(4-methyl-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-(4-methyl-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate (CID 162230999) is ethyl 4-[6-(4-methyl-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-(4-methyl-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-(4-methyl-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccnc3c2C=C(c2cc(C)ccn2)C3)CC1.
What is the InChIKey of ethyl 4-[6-(4-methyl-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
The InChIKey is ZVKRZSHFINPCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-27-21(26)25-10-8-24(9-11-25)20-5-7-23-19-14-16(13-17(19)20)18-12-15(2)4-6-22-18/h4-7,12-13H,3,8-11,14H2,1-2H3.
What are the key properties of ethyl 4-[6-(4-methyl-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
ethyl 4-[6-(4-methyl-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate has a molecular weight of 364.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(4-methyl-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 162230999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).