ethyl 4-(2,3-dichlorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate

C18H19Cl2N3O2 — CID 135583783

IUPACethyl 4-(2,3-dichlorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCCC1=C(C(=O)OCC)C(c2cccc(Cl)c2Cl)c2cn[nH]c2N1
InChIInChI=1S/C18H19Cl2N3O2/c1-3-6-13-15(18(24)25-4-2)14(11-9-21-23-17(11)22-13)10-7-5-8-12(19)16(10)20/h5,7-9,14H,3-4,6H2,1-2H3,(H2,21,22,23)
InChIKeySMTSOEXZRYCBBQ-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.89
Rot. Bonds5

About ethyl 4-(2,3-dichlorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate

ethyl 4-(2,3-dichlorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 135583783) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is ethyl 4-(2,3-dichlorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,3-dichlorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID135583783
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Nameethyl 4-(2,3-dichlorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCCC1=C(C(=O)OCC)C(c2cccc(Cl)c2Cl)c2cn[nH]c2N1
InChIInChI=1S/C18H19Cl2N3O2/c1-3-6-13-15(18(24)25-4-2)14(11-9-21-23-17(11)22-13)10-7-5-8-12(19)16(10)20/h5,7-9,14H,3-4,6H2,1-2H3,(H2,21,22,23)
InChIKeySMTSOEXZRYCBBQ-UHFFFAOYSA-N
XLogP4.89
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(2,3-dichlorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate with MolForge

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Related Compounds

ethyl 6-propyl-4-quinolin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135584144
ethyl 4-naphthalen-2-yl-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135617682
ethyl 4-(2-chlorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135584151
methyl 4-(2-chlorophenyl)-6-(methoxymethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135584067
5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2-methyl-6-(113C)methyl-(5,6-13C2)1,4-dihydropyridine-3,5-dicarboxylate
CID 169440420
5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 3333
dipropyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 141441215
5-O-ethyl 3-O-(trideuterio(113C)methyl) 4-(2,3-dichlorophenyl)-2-methyl-6-(113C)methyl-(5,6-13C2)1,4-dihydropyridine-3,5-dicarboxylate
CID 76973107
ethyl 4-(2-methoxyphenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135584118
ethyl 6-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135583959
5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;pyridine
CID 19026228
3-O-ethyl 5-O-methyl 2-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 67923005

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,3-dichlorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(2,3-dichlorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (CID 135583783) is ethyl 4-(2,3-dichlorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(2,3-dichlorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(2,3-dichlorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is CCCC1=C(C(=O)OCC)C(c2cccc(Cl)c2Cl)c2cn[nH]c2N1.
What is the InChIKey of ethyl 4-(2,3-dichlorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is SMTSOEXZRYCBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-3-6-13-15(18(24)25-4-2)14(11-9-21-23-17(11)22-13)10-7-5-8-12(19)16(10)20/h5,7-9,14H,3-4,6H2,1-2H3,(H2,21,22,23).
What are the key properties of ethyl 4-(2,3-dichlorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
ethyl 4-(2,3-dichlorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 380.28 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,3-dichlorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 135583783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).