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

C20H21ClN4O2 — CID 160981616

IUPACethyl 4-(5-chloro-6-pyridin-2-yl-7H-cyclopenta[b]pyridin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccnc3c2C(Cl)=C(c2ccccn2)C3)CC1
InChIInChI=1S/C20H21ClN4O2/c1-2-27-20(26)25-11-9-24(10-12-25)17-6-8-23-16-13-14(19(21)18(16)17)15-5-3-4-7-22-15/h3-8H,2,9-13H2,1H3
InChIKeySZPAHCQGPBOIEL-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.42
Rot. Bonds3

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

ethyl 4-(5-chloro-6-pyridin-2-yl-7H-cyclopenta[b]pyridin-4-yl)piperazine-1-carboxylate (PubChem CID 160981616) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is ethyl 4-(5-chloro-6-pyridin-2-yl-7H-cyclopenta[b]pyridin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-chloro-6-pyridin-2-yl-7H-cyclopenta[b]pyridin-4-yl)piperazine-1-carboxylate
PubChem CID160981616
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Nameethyl 4-(5-chloro-6-pyridin-2-yl-7H-cyclopenta[b]pyridin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccnc3c2C(Cl)=C(c2ccccn2)C3)CC1
InChIInChI=1S/C20H21ClN4O2/c1-2-27-20(26)25-11-9-24(10-12-25)17-6-8-23-16-13-14(19(21)18(16)17)15-5-3-4-7-22-15/h3-8H,2,9-13H2,1H3
InChIKeySZPAHCQGPBOIEL-UHFFFAOYSA-N
XLogP3.42
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

ethyl 4-[6-(1-methylpyrazol-4-yl)-5-methylsulfonyl-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 159399543
ethyl 4-[6-(4-methyl-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 162230999
ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate
CID 107876769
oxetan-3-yl 4-[5-chloro-6-(4,5-dimethyl-1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 159255345
ethyl 4-[6-(5-cyano-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 158413507
ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate
CID 110389199
ethyl 4-(3-chloro-2-formylphenyl)piperazine-1-carboxylate
CID 107877137
ethyl 4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazine-1-carboxylate
CID 108531691
ethyl 4-[2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate
CID 107877242
ethyl 4-(4-bromo-2-chlorophenyl)piperazine-1-carboxylate
CID 169336537
ethyl 4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897882
ethyl 4-[2-(2-chloroanilino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897922

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-chloro-6-pyridin-2-yl-7H-cyclopenta[b]pyridin-4-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(5-chloro-6-pyridin-2-yl-7H-cyclopenta[b]pyridin-4-yl)piperazine-1-carboxylate (CID 160981616) is ethyl 4-(5-chloro-6-pyridin-2-yl-7H-cyclopenta[b]pyridin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-chloro-6-pyridin-2-yl-7H-cyclopenta[b]pyridin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(5-chloro-6-pyridin-2-yl-7H-cyclopenta[b]pyridin-4-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccnc3c2C(Cl)=C(c2ccccn2)C3)CC1.
What is the InChIKey of ethyl 4-(5-chloro-6-pyridin-2-yl-7H-cyclopenta[b]pyridin-4-yl)piperazine-1-carboxylate?
The InChIKey is SZPAHCQGPBOIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-2-27-20(26)25-11-9-24(10-12-25)17-6-8-23-16-13-14(19(21)18(16)17)15-5-3-4-7-22-15/h3-8H,2,9-13H2,1H3.
What are the key properties of ethyl 4-(5-chloro-6-pyridin-2-yl-7H-cyclopenta[b]pyridin-4-yl)piperazine-1-carboxylate?
ethyl 4-(5-chloro-6-pyridin-2-yl-7H-cyclopenta[b]pyridin-4-yl)piperazine-1-carboxylate has a molecular weight of 384.87 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-chloro-6-pyridin-2-yl-7H-cyclopenta[b]pyridin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 160981616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).