5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

C20H24N6O2 — CID 56718878

IUPAC5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c2c1CCC(N1CCN(c3ncccc3C#N)CC1)C2
InChIInChI=1S/C20H24N6O2/c1-2-26-17-6-5-15(12-16(17)18(23-26)20(27)28)24-8-10-25(11-9-24)19-14(13-21)4-3-7-22-19/h3-4,7,15H,2,5-6,8-12H2,1H3,(H,27,28)
InChIKeyUFKQEQFQQJQZNV-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.55
Rot. Bonds4

About 5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 56718878) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID56718878
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c2c1CCC(N1CCN(c3ncccc3C#N)CC1)C2
InChIInChI=1S/C20H24N6O2/c1-2-26-17-6-5-15(12-16(17)18(23-26)20(27)28)24-8-10-25(11-9-24)19-14(13-21)4-3-7-22-19/h3-4,7,15H,2,5-6,8-12H2,1H3,(H,27,28)
InChIKeyUFKQEQFQQJQZNV-UHFFFAOYSA-N
XLogP1.55
TPSA98.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of 5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 56718878) is 5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for 5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for 5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is CCn1nc(C(=O)O)c2c1CCC(N1CCN(c3ncccc3C#N)CC1)C2.
What is the InChIKey of 5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is UFKQEQFQQJQZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-2-26-17-6-5-15(12-16(17)18(23-26)20(27)28)24-8-10-25(11-9-24)19-14(13-21)4-3-7-22-19/h3-4,7,15H,2,5-6,8-12H2,1H3,(H,27,28).
What are the key properties of 5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 380.45 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 56718878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).