ethyl 4-[6-(5-cyano-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate

C21H21N5O2 — CID 158413507

IUPACethyl 4-[6-(5-cyano-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccnc3c2C=C(c2ccc(C#N)cn2)C3)CC1
InChIInChI=1S/C21H21N5O2/c1-2-28-21(27)26-9-7-25(8-10-26)20-5-6-23-19-12-16(11-17(19)20)18-4-3-15(13-22)14-24-18/h3-6,11,14H,2,7-10,12H2,1H3
InChIKeyGZPFCKDHQKGPBO-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.72
Rot. Bonds3

About ethyl 4-[6-(5-cyano-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate

ethyl 4-[6-(5-cyano-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate (PubChem CID 158413507) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is ethyl 4-[6-(5-cyano-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(5-cyano-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
PubChem CID158413507
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Nameethyl 4-[6-(5-cyano-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccnc3c2C=C(c2ccc(C#N)cn2)C3)CC1
InChIInChI=1S/C21H21N5O2/c1-2-28-21(27)26-9-7-25(8-10-26)20-5-6-23-19-12-16(11-17(19)20)18-4-3-15(13-22)14-24-18/h3-6,11,14H,2,7-10,12H2,1H3
InChIKeyGZPFCKDHQKGPBO-UHFFFAOYSA-N
XLogP2.72
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[6-(5-cyano-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[6-(4-methyl-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 162230999
ethyl 4-[6-[1-(oxetan-3-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 158956474
ethyl 4-(4-cyano-2-fluorophenyl)piperazine-1-carboxylate
CID 6486814
oxetan-3-yl 4-[6-(5-cyanothiophen-3-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 158293893
ethyl 4-(3-bromo-5-cyano-2-pyridinyl)piperazine-1-carboxylate
CID 84611937
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
3-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile
CID 162244097
ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 107876946
ethyl 4-(2-cyano-4-methylphenyl)piperazine-1-carboxylate
CID 107928001
ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate
CID 107876769
ethyl 4-[6-(1-methylpyrazol-4-yl)-5-methylsulfonyl-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 159399543

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(5-cyano-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-(5-cyano-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate (CID 158413507) is ethyl 4-[6-(5-cyano-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-(5-cyano-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-(5-cyano-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccnc3c2C=C(c2ccc(C#N)cn2)C3)CC1.
What is the InChIKey of ethyl 4-[6-(5-cyano-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
The InChIKey is GZPFCKDHQKGPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-2-28-21(27)26-9-7-25(8-10-26)20-5-6-23-19-12-16(11-17(19)20)18-4-3-15(13-22)14-24-18/h3-6,11,14H,2,7-10,12H2,1H3.
What are the key properties of ethyl 4-[6-(5-cyano-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
ethyl 4-[6-(5-cyano-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate has a molecular weight of 375.43 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(5-cyano-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 158413507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).