1-(3-phenylpropyl)-5-(pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C22H22N4O3 — CID 56718531

IUPAC1-(3-phenylpropyl)-5-(pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1cccnc1)CC2
InChIInChI=1S/C22H22N4O3/c27-21(17-9-4-11-23-14-17)25-13-10-19-18(15-25)20(22(28)29)24-26(19)12-5-8-16-6-2-1-3-7-16/h1-4,6-7,9,11,14H,5,8,10,12-13,15H2,(H,28,29)
InChIKeyGJCPAQAGYPUCTR-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.81
Rot. Bonds6

About 1-(3-phenylpropyl)-5-(pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

1-(3-phenylpropyl)-5-(pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56718531) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-5-(pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-phenylpropyl)-5-(pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID56718531
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name1-(3-phenylpropyl)-5-(pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1cccnc1)CC2
InChIInChI=1S/C22H22N4O3/c27-21(17-9-4-11-23-14-17)25-13-10-19-18(15-25)20(22(28)29)24-26(19)12-5-8-16-6-2-1-3-7-16/h1-4,6-7,9,11,14H,5,8,10,12-13,15H2,(H,28,29)
InChIKeyGJCPAQAGYPUCTR-UHFFFAOYSA-N
XLogP2.81
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-5-(pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-(3-phenylpropyl)-5-(pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56718531) is 1-(3-phenylpropyl)-5-(pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(3-phenylpropyl)-5-(pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(3-phenylpropyl)-5-(pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is O=C(O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1cccnc1)CC2.
What is the InChIKey of 1-(3-phenylpropyl)-5-(pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is GJCPAQAGYPUCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-21(17-9-4-11-23-14-17)25-13-10-19-18(15-25)20(22(28)29)24-26(19)12-5-8-16-6-2-1-3-7-16/h1-4,6-7,9,11,14H,5,8,10,12-13,15H2,(H,28,29).
What are the key properties of 1-(3-phenylpropyl)-5-(pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
1-(3-phenylpropyl)-5-(pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 390.44 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-5-(pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56718531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).