6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-yl]pyridine-2-carboxylic acid

C20H21N5O2 — CID 66889608

IUPAC6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-yl]pyridine-2-carboxylic acid
SMILESCN1CCN(c2ccc(-c3cc(-c4cccc(C(=O)O)n4)[nH]n3)cc2)CC1
InChIInChI=1S/C20H21N5O2/c1-24-9-11-25(12-10-24)15-7-5-14(6-8-15)18-13-19(23-22-18)16-3-2-4-17(21-16)20(26)27/h2-8,13H,9-12H2,1H3,(H,22,23)(H,26,27)
InChIKeyNJOSWSTWJLGXNA-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.59
Rot. Bonds4

About 6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-yl]pyridine-2-carboxylic acid

6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-yl]pyridine-2-carboxylic acid (PubChem CID 66889608) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-yl]pyridine-2-carboxylic acid
PubChem CID66889608
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-yl]pyridine-2-carboxylic acid
SMILESCN1CCN(c2ccc(-c3cc(-c4cccc(C(=O)O)n4)[nH]n3)cc2)CC1
InChIInChI=1S/C20H21N5O2/c1-24-9-11-25(12-10-24)15-7-5-14(6-8-15)18-13-19(23-22-18)16-3-2-4-17(21-16)20(26)27/h2-8,13H,9-12H2,1H3,(H,22,23)(H,26,27)
InChIKeyNJOSWSTWJLGXNA-UHFFFAOYSA-N
XLogP2.59
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-yl]pyridine-2-carboxylic acid (CID 66889608) is 6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-yl]pyridine-2-carboxylic acid is CN1CCN(c2ccc(-c3cc(-c4cccc(C(=O)O)n4)[nH]n3)cc2)CC1.
What is the InChIKey of 6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-yl]pyridine-2-carboxylic acid?
The InChIKey is NJOSWSTWJLGXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-24-9-11-25(12-10-24)15-7-5-14(6-8-15)18-13-19(23-22-18)16-3-2-4-17(21-16)20(26)27/h2-8,13H,9-12H2,1H3,(H,22,23)(H,26,27).
What are the key properties of 6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-yl]pyridine-2-carboxylic acid?
6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-yl]pyridine-2-carboxylic acid has a molecular weight of 363.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 66889608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).