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

C19H22FN3O2 — CID 135583834

IUPACethyl 4-(3-fluoro-2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCCC1=C(C(=O)OCC)C(c2cccc(F)c2C)c2cn[nH]c2N1
InChIInChI=1S/C19H22FN3O2/c1-4-7-15-17(19(24)25-5-2)16(13-10-21-23-18(13)22-15)12-8-6-9-14(20)11(12)3/h6,8-10,16H,4-5,7H2,1-3H3,(H2,21,22,23)
InChIKeyQMLLJDHPNNXVLQ-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.03
Rot. Bonds5

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

ethyl 4-(3-fluoro-2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 135583834) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is ethyl 4-(3-fluoro-2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-fluoro-2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID135583834
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Nameethyl 4-(3-fluoro-2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCCC1=C(C(=O)OCC)C(c2cccc(F)c2C)c2cn[nH]c2N1
InChIInChI=1S/C19H22FN3O2/c1-4-7-15-17(19(24)25-5-2)16(13-10-21-23-18(13)22-15)12-8-6-9-14(20)11(12)3/h6,8-10,16H,4-5,7H2,1-3H3,(H2,21,22,23)
InChIKeyQMLLJDHPNNXVLQ-UHFFFAOYSA-N
XLogP4.03
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-fluoro-2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(3-fluoro-2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (CID 135583834) is ethyl 4-(3-fluoro-2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(3-fluoro-2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(3-fluoro-2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is CCCC1=C(C(=O)OCC)C(c2cccc(F)c2C)c2cn[nH]c2N1.
What is the InChIKey of ethyl 4-(3-fluoro-2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is QMLLJDHPNNXVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-4-7-15-17(19(24)25-5-2)16(13-10-21-23-18(13)22-15)12-8-6-9-14(20)11(12)3/h6,8-10,16H,4-5,7H2,1-3H3,(H2,21,22,23).
What are the key properties of ethyl 4-(3-fluoro-2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
ethyl 4-(3-fluoro-2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 343.40 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-fluoro-2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 135583834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).