ethyl 2-chloro-6-[5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1,5-dihydropyrazol-2-yl]pyridine-3-carboxylate

C20H24ClN3O3 — CID 142372576

IUPACethyl 2-chloro-6-[5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1,5-dihydropyrazol-2-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2C=CC(OCCC3C4(CC4)C34CC4)N2)nc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-2-26-18(25)13-3-4-15(22-17(13)21)24-11-5-16(23-24)27-12-6-14-19(7-8-19)20(14)9-10-20/h3-5,11,14,16,23H,2,6-10,12H2,1H3
InChIKeyPIGLZUBJKNWALW-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.67
Rot. Bonds7

About ethyl 2-chloro-6-[5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1,5-dihydropyrazol-2-yl]pyridine-3-carboxylate

ethyl 2-chloro-6-[5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1,5-dihydropyrazol-2-yl]pyridine-3-carboxylate (PubChem CID 142372576) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is ethyl 2-chloro-6-[5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1,5-dihydropyrazol-2-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-6-[5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1,5-dihydropyrazol-2-yl]pyridine-3-carboxylate
PubChem CID142372576
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Nameethyl 2-chloro-6-[5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1,5-dihydropyrazol-2-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2C=CC(OCCC3C4(CC4)C34CC4)N2)nc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-2-26-18(25)13-3-4-15(22-17(13)21)24-11-5-16(23-24)27-12-6-14-19(7-8-19)20(14)9-10-20/h3-5,11,14,16,23H,2,6-10,12H2,1H3
InChIKeyPIGLZUBJKNWALW-UHFFFAOYSA-N
XLogP3.67
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze ethyl 2-chloro-6-[5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1,5-dihydropyrazol-2-yl]pyridine-3-carboxylate 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

5-(dispiro[2.0.24.13]heptan-7-ylmethoxy)-1H-pyrazole;ethyl 2-chloro-6-[3-(dispiro[2.0.24.13]heptan-7-ylmethoxy)pyrazol-1-yl]pyridine-3-carboxylate
CID 159764695
ethyl 2-chloro-6-[3-[2-(2,2,3,3-tetramethylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;5-[2-(2,2,3,3-tetramethylcyclopropyl)ethoxy]-1H-pyrazole
CID 161242773
ethyl 2-chloro-6-[3-[2-[1-(trimethyl-λ4-sulfanyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate
CID 139574171
ethyl 2-chloro-6-cyclopropylpyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate
CID 175912460
ethyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 19791830
ethyl 2-chloro-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate
CID 153351086
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
ethyl 2-bromo-4-chloropyrimidine-5-carboxylate
CID 131528949
1-O-tert-butyl 4-O-ethyl 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazole-1,4-dicarboxylate;2-dispiro[2.0.24.13]heptan-7-ylethanol;2-dispiro[2.0.24.13]heptan-7-ylethyl methanesulfonate
CID 160916625
butyl 6-[3-(1-bicyclo[1.1.1]pentanylmethoxy)pyrazol-1-yl]-2-chloropyridine-3-carboxylate
CID 175804253
ethyl 4-chloro-2-(4-methylphenyl)pyrimidine-5-carboxylate
CID 82169020
ethyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 129078747

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-6-[5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1,5-dihydropyrazol-2-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-chloro-6-[5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1,5-dihydropyrazol-2-yl]pyridine-3-carboxylate (CID 142372576) is ethyl 2-chloro-6-[5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1,5-dihydropyrazol-2-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-chloro-6-[5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1,5-dihydropyrazol-2-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-chloro-6-[5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1,5-dihydropyrazol-2-yl]pyridine-3-carboxylate is CCOC(=O)c1ccc(N2C=CC(OCCC3C4(CC4)C34CC4)N2)nc1Cl.
What is the InChIKey of ethyl 2-chloro-6-[5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1,5-dihydropyrazol-2-yl]pyridine-3-carboxylate?
The InChIKey is PIGLZUBJKNWALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-2-26-18(25)13-3-4-15(22-17(13)21)24-11-5-16(23-24)27-12-6-14-19(7-8-19)20(14)9-10-20/h3-5,11,14,16,23H,2,6-10,12H2,1H3.
What are the key properties of ethyl 2-chloro-6-[5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1,5-dihydropyrazol-2-yl]pyridine-3-carboxylate?
ethyl 2-chloro-6-[5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1,5-dihydropyrazol-2-yl]pyridine-3-carboxylate has a molecular weight of 389.88 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-6-[5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1,5-dihydropyrazol-2-yl]pyridine-3-carboxylate is sourced from PubChem (CID 142372576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).