1-[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazole-3-carbonyl]piperidine-2-carboxylic acid

C22H22N4O4 — CID 23090254

IUPAC1-[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazole-3-carbonyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)N3CCCCC3C(=O)O)cc2-c2ccccc2)cn1
InChIInChI=1S/C22H22N4O4/c1-30-20-11-10-16(14-23-20)26-19(15-7-3-2-4-8-15)13-17(24-26)21(27)25-12-6-5-9-18(25)22(28)29/h2-4,7-8,10-11,13-14,18H,5-6,9,12H2,1H3,(H,28,29)
InChIKeyMSYBZOBCIHVNHK-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.02
Rot. Bonds5

About 1-[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazole-3-carbonyl]piperidine-2-carboxylic acid

1-[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazole-3-carbonyl]piperidine-2-carboxylic acid (PubChem CID 23090254) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 1-[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazole-3-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazole-3-carbonyl]piperidine-2-carboxylic acid
PubChem CID23090254
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name1-[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazole-3-carbonyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)N3CCCCC3C(=O)O)cc2-c2ccccc2)cn1
InChIInChI=1S/C22H22N4O4/c1-30-20-11-10-16(14-23-20)26-19(15-7-3-2-4-8-15)13-17(24-26)21(27)25-12-6-5-9-18(25)22(28)29/h2-4,7-8,10-11,13-14,18H,5-6,9,12H2,1H3,(H,28,29)
InChIKeyMSYBZOBCIHVNHK-UHFFFAOYSA-N
XLogP3.02
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-piperidin-1-ylmethanone
CID 23090606
[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 10406457
(2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034423
1-(6-methoxy-3-pyridinyl)-5-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 23143613
5-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid
CID 23090117
[1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 23090599
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]methanone
CID 118111663
(2R)-1-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]piperidine-2-carboxylic acid
CID 120537361
1-[1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]azetidine-2-carboxylic acid
CID 23110136
[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 10023598
2-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]pyrazolidine-1-carboxylic acid
CID 141133524
1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
CID 23090500

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazole-3-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazole-3-carbonyl]piperidine-2-carboxylic acid (CID 23090254) is 1-[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazole-3-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazole-3-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazole-3-carbonyl]piperidine-2-carboxylic acid is COc1ccc(-n2nc(C(=O)N3CCCCC3C(=O)O)cc2-c2ccccc2)cn1.
What is the InChIKey of 1-[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazole-3-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is MSYBZOBCIHVNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-30-20-11-10-16(14-23-20)26-19(15-7-3-2-4-8-15)13-17(24-26)21(27)25-12-6-5-9-18(25)22(28)29/h2-4,7-8,10-11,13-14,18H,5-6,9,12H2,1H3,(H,28,29).
What are the key properties of 1-[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazole-3-carbonyl]piperidine-2-carboxylic acid?
1-[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazole-3-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 406.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazole-3-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 23090254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).