ethyl 4-naphthalen-2-yl-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate

C22H23N3O2 — CID 135617682

IUPACethyl 4-naphthalen-2-yl-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCCC1=C(C(=O)OCC)C(c2ccc3ccccc3c2)c2cn[nH]c2N1
InChIInChI=1S/C22H23N3O2/c1-3-7-18-20(22(26)27-4-2)19(17-13-23-25-21(17)24-18)16-11-10-14-8-5-6-9-15(14)12-16/h5-6,8-13,19H,3-4,7H2,1-2H3,(H2,23,24,25)
InChIKeyBZKJHZMXSQFEGI-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.74
Rot. Bonds5

About ethyl 4-naphthalen-2-yl-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate

ethyl 4-naphthalen-2-yl-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 135617682) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is ethyl 4-naphthalen-2-yl-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-naphthalen-2-yl-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID135617682
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Nameethyl 4-naphthalen-2-yl-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCCC1=C(C(=O)OCC)C(c2ccc3ccccc3c2)c2cn[nH]c2N1
InChIInChI=1S/C22H23N3O2/c1-3-7-18-20(22(26)27-4-2)19(17-13-23-25-21(17)24-18)16-11-10-14-8-5-6-9-15(14)12-16/h5-6,8-13,19H,3-4,7H2,1-2H3,(H2,23,24,25)
InChIKeyBZKJHZMXSQFEGI-UHFFFAOYSA-N
XLogP4.74
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-naphthalen-2-yl-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-naphthalen-2-yl-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (CID 135617682) is ethyl 4-naphthalen-2-yl-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-naphthalen-2-yl-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-naphthalen-2-yl-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is CCCC1=C(C(=O)OCC)C(c2ccc3ccccc3c2)c2cn[nH]c2N1.
What is the InChIKey of ethyl 4-naphthalen-2-yl-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is BZKJHZMXSQFEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-7-18-20(22(26)27-4-2)19(17-13-23-25-21(17)24-18)16-11-10-14-8-5-6-9-15(14)12-16/h5-6,8-13,19H,3-4,7H2,1-2H3,(H2,23,24,25).
What are the key properties of ethyl 4-naphthalen-2-yl-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
ethyl 4-naphthalen-2-yl-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 361.45 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-naphthalen-2-yl-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 135617682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).