1,3-dimethyl-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid

C19H24N6O3 — CID 134708255

IUPAC1,3-dimethyl-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(N3CCC(c4nc(C(C)C)no4)CC3)c12
InChIInChI=1S/C19H24N6O3/c1-10(2)16-21-18(28-23-16)12-5-7-25(8-6-12)15-13(19(26)27)9-20-17-14(15)11(3)22-24(17)4/h9-10,12H,5-8H2,1-4H3,(H,26,27)
InChIKeyMFAWCIWPHYPUKR-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.87
Rot. Bonds4

About 1,3-dimethyl-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid

1,3-dimethyl-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 134708255) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1,3-dimethyl-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID134708255
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name1,3-dimethyl-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(N3CCC(c4nc(C(C)C)no4)CC3)c12
InChIInChI=1S/C19H24N6O3/c1-10(2)16-21-18(28-23-16)12-5-7-25(8-6-12)15-13(19(26)27)9-20-17-14(15)11(3)22-24(17)4/h9-10,12H,5-8H2,1-4H3,(H,26,27)
InChIKeyMFAWCIWPHYPUKR-UHFFFAOYSA-N
XLogP2.87
TPSA110.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1,3-dimethyl-4-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 134699513
4-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 154567572
4-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 91765436
4-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 99972461
4-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937581
propan-2-yl (2S)-2-[5-bromo-2,6-dimethyl-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-pyridinyl]-2-hydroxyacetate
CID 118307876
4-[(3R,4S)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 134712455
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 91786172
3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133291332
ethyl 4-(4-anilinopiperidin-1-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133456924
4-[cyclopropylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937637
ethyl 1,3-dimethyl-4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133456868

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 1,3-dimethyl-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 134708255) is 1,3-dimethyl-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1nn(C)c2ncc(C(=O)O)c(N3CCC(c4nc(C(C)C)no4)CC3)c12.
What is the InChIKey of 1,3-dimethyl-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is MFAWCIWPHYPUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-10(2)16-21-18(28-23-16)12-5-7-25(8-6-12)15-13(19(26)27)9-20-17-14(15)11(3)22-24(17)4/h9-10,12H,5-8H2,1-4H3,(H,26,27).
What are the key properties of 1,3-dimethyl-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
1,3-dimethyl-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 384.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 134708255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).