(2R,6S)-6-(4-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperidine-2-carboxylic acid

C21H25N3O4 — CID 167845148

IUPAC(2R,6S)-6-(4-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperidine-2-carboxylic acid
SMILESCOc1ccc([C@@H]2CCC[C@H](C(=O)O)N2C(=O)c2cc3n(n2)CCCC3)cc1
InChIInChI=1S/C21H25N3O4/c1-28-16-10-8-14(9-11-16)18-6-4-7-19(21(26)27)24(18)20(25)17-13-15-5-2-3-12-23(15)22-17/h8-11,13,18-19H,2-7,12H2,1H3,(H,26,27)/t18-,19+/m0/s1
InChIKeySKLWRVYXPDKMPI-RBUKOAKNSA-N
MW383.45 g/mol
LogP3.05
Rot. Bonds4

About (2R,6S)-6-(4-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperidine-2-carboxylic acid

(2R,6S)-6-(4-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 167845148) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is (2R,6S)-6-(4-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,6S)-6-(4-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID167845148
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name(2R,6S)-6-(4-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperidine-2-carboxylic acid
SMILESCOc1ccc([C@@H]2CCC[C@H](C(=O)O)N2C(=O)c2cc3n(n2)CCCC3)cc1
InChIInChI=1S/C21H25N3O4/c1-28-16-10-8-14(9-11-16)18-6-4-7-19(21(26)27)24(18)20(25)17-13-15-5-2-3-12-23(15)22-17/h8-11,13,18-19H,2-7,12H2,1H3,(H,26,27)/t18-,19+/m0/s1
InChIKeySKLWRVYXPDKMPI-RBUKOAKNSA-N
XLogP3.05
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
CID 118705226
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanone
CID 82652358
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
4-[1-benzoyl-6-(4-methoxyphenyl)piperidin-2-yl]benzaldehyde
CID 126657946
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 94080690
1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 119175727
2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82567904
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 50747341
(2,4-dimethoxyphenyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 55440342
2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219
(2S)-1-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 90114938

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-6-(4-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R,6S)-6-(4-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperidine-2-carboxylic acid (CID 167845148) is (2R,6S)-6-(4-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R,6S)-6-(4-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R,6S)-6-(4-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperidine-2-carboxylic acid is COc1ccc([C@@H]2CCC[C@H](C(=O)O)N2C(=O)c2cc3n(n2)CCCC3)cc1.
What is the InChIKey of (2R,6S)-6-(4-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is SKLWRVYXPDKMPI-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-28-16-10-8-14(9-11-16)18-6-4-7-19(21(26)27)24(18)20(25)17-13-15-5-2-3-12-23(15)22-17/h8-11,13,18-19H,2-7,12H2,1H3,(H,26,27)/t18-,19+/m0/s1.
What are the key properties of (2R,6S)-6-(4-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperidine-2-carboxylic acid?
(2R,6S)-6-(4-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 383.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-6-(4-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 167845148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).