1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-4-carboxylic acid

C16H20N4O3 — CID 119349284

IUPAC1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-4-carboxylic acid
SMILESCc1nc2c(cc1C(=O)N1CCC(C(=O)O)CC1)c(C)nn2C
InChIInChI=1S/C16H20N4O3/c1-9-13(8-12-10(2)18-19(3)14(12)17-9)15(21)20-6-4-11(5-7-20)16(22)23/h8,11H,4-7H2,1-3H3,(H,22,23)
InChIKeyCRWWSIKRSSCMMS-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.52
Rot. Bonds2

About 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-4-carboxylic acid

1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-4-carboxylic acid (PubChem CID 119349284) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-4-carboxylic acid
PubChem CID119349284
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-4-carboxylic acid
SMILESCc1nc2c(cc1C(=O)N1CCC(C(=O)O)CC1)c(C)nn2C
InChIInChI=1S/C16H20N4O3/c1-9-13(8-12-10(2)18-19(3)14(12)17-9)15(21)20-6-4-11(5-7-20)16(22)23/h8,11H,4-7H2,1-3H3,(H,22,23)
InChIKeyCRWWSIKRSSCMMS-UHFFFAOYSA-N
XLogP1.52
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 37000073
1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one
CID 56821249
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 37001049
1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 119349357
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 36997767
1-(2,4-dimethylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 110836362
2-[cyclopropyl-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 122067300
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090
azepan-1-yl-[1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 35430308
1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 110836281
ethyl 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate
CID 30755393
(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 39891388

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-4-carboxylic acid (CID 119349284) is 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-4-carboxylic acid is Cc1nc2c(cc1C(=O)N1CCC(C(=O)O)CC1)c(C)nn2C.
What is the InChIKey of 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is CRWWSIKRSSCMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-9-13(8-12-10(2)18-19(3)14(12)17-9)15(21)20-6-4-11(5-7-20)16(22)23/h8,11H,4-7H2,1-3H3,(H,22,23).
What are the key properties of 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-4-carboxylic acid?
1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119349284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).