4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide

C20H25N5O2 — CID 122281562

IUPAC4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(c3cc4c(nn3)CCC4)CC2)cc1
InChIInChI=1S/C20H25N5O2/c1-2-27-17-8-6-16(7-9-17)21-20(26)25-12-10-24(11-13-25)19-14-15-4-3-5-18(15)22-23-19/h6-9,14H,2-5,10-13H2,1H3,(H,21,26)
InChIKeyHRZIQJPBNHMTBY-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.72
Rot. Bonds4

About 4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide

4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide (PubChem CID 122281562) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
PubChem CID122281562
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(c3cc4c(nn3)CCC4)CC2)cc1
InChIInChI=1S/C20H25N5O2/c1-2-27-17-8-6-16(7-9-17)21-20(26)25-12-10-24(11-13-25)19-14-15-4-3-5-18(15)22-23-19/h6-9,14H,2-5,10-13H2,1H3,(H,21,26)
InChIKeyHRZIQJPBNHMTBY-UHFFFAOYSA-N
XLogP2.72
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335735
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone
CID 122269137
4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 122281585
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
4-(3,5-dichloro-4-pyridinyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 23852476
N-(4-ethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336905
N-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide
CID 42065423
N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 122176304
N-(4-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 5177300
N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113781
N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 82087160
N-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 122350226

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide (CID 122281562) is 4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide is CCOc1ccc(NC(=O)N2CCN(c3cc4c(nn3)CCC4)CC2)cc1.
What is the InChIKey of 4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is HRZIQJPBNHMTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-2-27-17-8-6-16(7-9-17)21-20(26)25-12-10-24(11-13-25)19-14-15-4-3-5-18(15)22-23-19/h6-9,14H,2-5,10-13H2,1H3,(H,21,26).
What are the key properties of 4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 122281562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).