2-[3-(3-methylphenyl)pyrazol-1-yl]-4-piperazin-1-yl-5H-cyclopenta[b]pyridine-6-carbaldehyde

C23H23N5O — CID 166156233

IUPAC2-[3-(3-methylphenyl)pyrazol-1-yl]-4-piperazin-1-yl-5H-cyclopenta[b]pyridine-6-carbaldehyde
SMILESCc1cccc(-c2ccn(-c3cc(N4CCNCC4)c4c(n3)C=C(C=O)C4)n2)c1
InChIInChI=1S/C23H23N5O/c1-16-3-2-4-18(11-16)20-5-8-28(26-20)23-14-22(27-9-6-24-7-10-27)19-12-17(15-29)13-21(19)25-23/h2-5,8,11,13-15,24H,6-7,9-10,12H2,1H3
InChIKeySCPJXPOSQBNWQF-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.79
Rot. Bonds4

About 2-[3-(3-methylphenyl)pyrazol-1-yl]-4-piperazin-1-yl-5H-cyclopenta[b]pyridine-6-carbaldehyde

2-[3-(3-methylphenyl)pyrazol-1-yl]-4-piperazin-1-yl-5H-cyclopenta[b]pyridine-6-carbaldehyde (PubChem CID 166156233) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[3-(3-methylphenyl)pyrazol-1-yl]-4-piperazin-1-yl-5H-cyclopenta[b]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-[3-(3-methylphenyl)pyrazol-1-yl]-4-piperazin-1-yl-5H-cyclopenta[b]pyridine-6-carbaldehyde
PubChem CID166156233
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name2-[3-(3-methylphenyl)pyrazol-1-yl]-4-piperazin-1-yl-5H-cyclopenta[b]pyridine-6-carbaldehyde
SMILESCc1cccc(-c2ccn(-c3cc(N4CCNCC4)c4c(n3)C=C(C=O)C4)n2)c1
InChIInChI=1S/C23H23N5O/c1-16-3-2-4-18(11-16)20-5-8-28(26-20)23-14-22(27-9-6-24-7-10-27)19-12-17(15-29)13-21(19)25-23/h2-5,8,11,13-15,24H,6-7,9-10,12H2,1H3
InChIKeySCPJXPOSQBNWQF-UHFFFAOYSA-N
XLogP2.79
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[3-(3-methylphenyl)pyrazol-1-yl]-4-piperazin-1-yl-5H-cyclopenta[b]pyridine-6-carbaldehyde 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

4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine
CID 167250067
4-[6-[(3E,5Z)-7-methylocta-1,3,5-trien-3-yl]-2-[3-(3-methylphenyl)pyrazol-1-yl]-5H-cyclopenta[b]pyridin-4-yl]morpholine
CID 166156015
[[(2Z,4E)-2-(dimethylamino)-4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-5H-cyclopenta[b]pyridin-6-yl]hepta-2,4-dienyl]-(trihydroxymethyl)amino]methanetriol
CID 166156112
4-[5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568284
4-chloro-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-2-amine
CID 156831933
4-[2-(chloromethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 169032485
4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568691
3-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridin-2-yl]cyclopent-2-en-1-one
CID 166156101
5-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-1,3-diazinan-2-one
CID 172568603
CID 166156254
CID 166156254
4-[4-[3-(3-methylphenyl)pyrazol-1-yl]-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-6-yl]morpholine
CID 172568696
4-[2-(3,4-dihydropyridin-6-yl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568672

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylphenyl)pyrazol-1-yl]-4-piperazin-1-yl-5H-cyclopenta[b]pyridine-6-carbaldehyde?
The IUPAC name of 2-[3-(3-methylphenyl)pyrazol-1-yl]-4-piperazin-1-yl-5H-cyclopenta[b]pyridine-6-carbaldehyde (CID 166156233) is 2-[3-(3-methylphenyl)pyrazol-1-yl]-4-piperazin-1-yl-5H-cyclopenta[b]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-[3-(3-methylphenyl)pyrazol-1-yl]-4-piperazin-1-yl-5H-cyclopenta[b]pyridine-6-carbaldehyde?
The canonical SMILES for 2-[3-(3-methylphenyl)pyrazol-1-yl]-4-piperazin-1-yl-5H-cyclopenta[b]pyridine-6-carbaldehyde is Cc1cccc(-c2ccn(-c3cc(N4CCNCC4)c4c(n3)C=C(C=O)C4)n2)c1.
What is the InChIKey of 2-[3-(3-methylphenyl)pyrazol-1-yl]-4-piperazin-1-yl-5H-cyclopenta[b]pyridine-6-carbaldehyde?
The InChIKey is SCPJXPOSQBNWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-16-3-2-4-18(11-16)20-5-8-28(26-20)23-14-22(27-9-6-24-7-10-27)19-12-17(15-29)13-21(19)25-23/h2-5,8,11,13-15,24H,6-7,9-10,12H2,1H3.
What are the key properties of 2-[3-(3-methylphenyl)pyrazol-1-yl]-4-piperazin-1-yl-5H-cyclopenta[b]pyridine-6-carbaldehyde?
2-[3-(3-methylphenyl)pyrazol-1-yl]-4-piperazin-1-yl-5H-cyclopenta[b]pyridine-6-carbaldehyde has a molecular weight of 385.47 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylphenyl)pyrazol-1-yl]-4-piperazin-1-yl-5H-cyclopenta[b]pyridine-6-carbaldehyde is sourced from PubChem (CID 166156233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).