2-methyl-2-[1-(5-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]propanoic acid

C18H23N3O3 — CID 154844231

IUPAC2-methyl-2-[1-(5-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]propanoic acid
SMILESCc1ccn2ncc(C(=O)N3CCCC(C(C)(C)C(=O)O)C3)c2c1
InChIInChI=1S/C18H23N3O3/c1-12-6-8-21-15(9-12)14(10-19-21)16(22)20-7-4-5-13(11-20)18(2,3)17(23)24/h6,8-10,13H,4-5,7,11H2,1-3H3,(H,23,24)
InChIKeyPIQWIEQHZUZCKN-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.61
Rot. Bonds3

About 2-methyl-2-[1-(5-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]propanoic acid

2-methyl-2-[1-(5-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 154844231) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-methyl-2-[1-(5-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-(5-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID154844231
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-methyl-2-[1-(5-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]propanoic acid
SMILESCc1ccn2ncc(C(=O)N3CCCC(C(C)(C)C(=O)O)C3)c2c1
InChIInChI=1S/C18H23N3O3/c1-12-6-8-21-15(9-12)14(10-19-21)16(22)20-7-4-5-13(11-20)18(2,3)17(23)24/h6,8-10,13H,4-5,7,11H2,1-3H3,(H,23,24)
InChIKeyPIQWIEQHZUZCKN-UHFFFAOYSA-N
XLogP2.61
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-chlorobenzoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198634
2-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid
CID 83197337
2-methyl-2-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 83198185
2-[1-(6-bromopyridine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198667
2-methyl-2-[1-(2-methyl-3-nitrobenzoyl)piperidin-3-yl]propanoic acid
CID 75442327
(2,4-dimethylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50849004
2-[1-(3-bromobenzoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198806
2-methyl-2-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanoic acid
CID 83198257
[(3S)-3-hydroxypiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 107224385
(3S)-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
CID 119173783
(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(5-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 154741465
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(5-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-(5-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]propanoic acid (CID 154844231) is 2-methyl-2-[1-(5-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-(5-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-(5-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]propanoic acid is Cc1ccn2ncc(C(=O)N3CCCC(C(C)(C)C(=O)O)C3)c2c1.
What is the InChIKey of 2-methyl-2-[1-(5-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is PIQWIEQHZUZCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-6-8-21-15(9-12)14(10-19-21)16(22)20-7-4-5-13(11-20)18(2,3)17(23)24/h6,8-10,13H,4-5,7,11H2,1-3H3,(H,23,24).
What are the key properties of 2-methyl-2-[1-(5-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]propanoic acid?
2-methyl-2-[1-(5-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 329.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-(5-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 154844231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).