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

C21H22N4O2 — CID 135584144

IUPACethyl 6-propyl-4-quinolin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCCC1=C(C(=O)OCC)C(c2ccnc3ccccc23)c2cn[nH]c2N1
InChIInChI=1S/C21H22N4O2/c1-3-7-17-19(21(26)27-4-2)18(15-12-23-25-20(15)24-17)14-10-11-22-16-9-6-5-8-13(14)16/h5-6,8-12,18H,3-4,7H2,1-2H3,(H2,23,24,25)
InChIKeyUGTXYSGTXUDPKO-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.13
Rot. Bonds5

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

ethyl 6-propyl-4-quinolin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 135584144) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 6-propyl-4-quinolin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-propyl-4-quinolin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID135584144
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Nameethyl 6-propyl-4-quinolin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCCC1=C(C(=O)OCC)C(c2ccnc3ccccc23)c2cn[nH]c2N1
InChIInChI=1S/C21H22N4O2/c1-3-7-17-19(21(26)27-4-2)18(15-12-23-25-20(15)24-17)14-10-11-22-16-9-6-5-8-13(14)16/h5-6,8-12,18H,3-4,7H2,1-2H3,(H2,23,24,25)
InChIKeyUGTXYSGTXUDPKO-UHFFFAOYSA-N
XLogP4.13
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-propyl-4-quinolin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 6-propyl-4-quinolin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (CID 135584144) is ethyl 6-propyl-4-quinolin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 6-propyl-4-quinolin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 6-propyl-4-quinolin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is CCCC1=C(C(=O)OCC)C(c2ccnc3ccccc23)c2cn[nH]c2N1.
What is the InChIKey of ethyl 6-propyl-4-quinolin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is UGTXYSGTXUDPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-7-17-19(21(26)27-4-2)18(15-12-23-25-20(15)24-17)14-10-11-22-16-9-6-5-8-13(14)16/h5-6,8-12,18H,3-4,7H2,1-2H3,(H2,23,24,25).
What are the key properties of ethyl 6-propyl-4-quinolin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
ethyl 6-propyl-4-quinolin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-propyl-4-quinolin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 135584144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).