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

C21H20N4O3 — CID 56759867

IUPAC1-(cyclopropylmethyl)-5-(isoquinoline-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1nn(CC2CC2)c2c1CN(C(=O)c1nccc3ccccc13)CC2
InChIInChI=1S/C21H20N4O3/c26-20(18-15-4-2-1-3-14(15)7-9-22-18)24-10-8-17-16(12-24)19(21(27)28)23-25(17)11-13-5-6-13/h1-4,7,9,13H,5-6,8,10-12H2,(H,27,28)
InChIKeyOJKHLKPMPXQLDG-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.74
Rot. Bonds4

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

1-(cyclopropylmethyl)-5-(isoquinoline-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56759867) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-(isoquinoline-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-(isoquinoline-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID56759867
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name1-(cyclopropylmethyl)-5-(isoquinoline-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1nn(CC2CC2)c2c1CN(C(=O)c1nccc3ccccc13)CC2
InChIInChI=1S/C21H20N4O3/c26-20(18-15-4-2-1-3-14(15)7-9-22-18)24-10-8-17-16(12-24)19(21(27)28)23-25(17)11-13-5-6-13/h1-4,7,9,13H,5-6,8,10-12H2,(H,27,28)
InChIKeyOJKHLKPMPXQLDG-UHFFFAOYSA-N
XLogP2.74
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-(isoquinoline-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-5-(isoquinoline-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56759867) is 1-(cyclopropylmethyl)-5-(isoquinoline-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-(isoquinoline-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-5-(isoquinoline-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is O=C(O)c1nn(CC2CC2)c2c1CN(C(=O)c1nccc3ccccc13)CC2.
What is the InChIKey of 1-(cyclopropylmethyl)-5-(isoquinoline-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is OJKHLKPMPXQLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-20(18-15-4-2-1-3-14(15)7-9-22-18)24-10-8-17-16(12-24)19(21(27)28)23-25(17)11-13-5-6-13/h1-4,7,9,13H,5-6,8,10-12H2,(H,27,28).
What are the key properties of 1-(cyclopropylmethyl)-5-(isoquinoline-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
1-(cyclopropylmethyl)-5-(isoquinoline-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 376.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-(isoquinoline-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56759867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).