6-[(2R)-2-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]pyridine-2-carboxylic acid

C16H19N5O3 — CID 122058157

IUPAC6-[(2R)-2-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]pyridine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCN(c3cccc(C(=O)O)n3)[C@H](C)C2)n[nH]1
InChIInChI=1S/C16H19N5O3/c1-10-8-13(19-18-10)15(22)20-6-7-21(11(2)9-20)14-5-3-4-12(17-14)16(23)24/h3-5,8,11H,6-7,9H2,1-2H3,(H,18,19)(H,23,24)/t11-/m1/s1
InChIKeyCUWLYNOXCOBAHP-LLVKDONJSA-N
MW329.36 g/mol
LogP1.16
Rot. Bonds3

About 6-[(2R)-2-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]pyridine-2-carboxylic acid

6-[(2R)-2-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122058157) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 6-[(2R)-2-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2R)-2-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]pyridine-2-carboxylic acid
PubChem CID122058157
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name6-[(2R)-2-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]pyridine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCN(c3cccc(C(=O)O)n3)[C@H](C)C2)n[nH]1
InChIInChI=1S/C16H19N5O3/c1-10-8-13(19-18-10)15(22)20-6-7-21(11(2)9-20)14-5-3-4-12(17-14)16(23)24/h3-5,8,11H,6-7,9H2,1-2H3,(H,18,19)(H,23,24)/t11-/m1/s1
InChIKeyCUWLYNOXCOBAHP-LLVKDONJSA-N
XLogP1.16
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(2R)-2-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 3796874
[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 110328575
4-[[[(2R)-2-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019924
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20918269
(3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110741099
(4-ethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 53017422
2-[1-(5-methyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681018
6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 94378498
(3-aminopiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119378378
[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110328587
[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56905411
[(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 124854834

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2R)-2-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]pyridine-2-carboxylic acid (CID 122058157) is 6-[(2R)-2-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2R)-2-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2R)-2-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]pyridine-2-carboxylic acid is Cc1cc(C(=O)N2CCN(c3cccc(C(=O)O)n3)[C@H](C)C2)n[nH]1.
What is the InChIKey of 6-[(2R)-2-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is CUWLYNOXCOBAHP-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-10-8-13(19-18-10)15(22)20-6-7-21(11(2)9-20)14-5-3-4-12(17-14)16(23)24/h3-5,8,11H,6-7,9H2,1-2H3,(H,18,19)(H,23,24)/t11-/m1/s1.
What are the key properties of 6-[(2R)-2-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]pyridine-2-carboxylic acid?
6-[(2R)-2-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122058157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).