4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)morpholine-3-carboxylic acid

C16H20N4O4 — CID 120521790

IUPAC4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)morpholine-3-carboxylic acid
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C16H20N4O4/c1-9(2)20-14-11(7-17-20)6-12(10(3)18-14)15(21)19-4-5-24-8-13(19)16(22)23/h6-7,9,13H,4-5,8H2,1-3H3,(H,22,23)
InChIKeyPBRDFGVZGZVNIB-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.25
Rot. Bonds3

About 4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)morpholine-3-carboxylic acid

4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)morpholine-3-carboxylic acid (PubChem CID 120521790) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)morpholine-3-carboxylic acid
PubChem CID120521790
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)morpholine-3-carboxylic acid
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C16H20N4O4/c1-9(2)20-14-11(7-17-20)6-12(10(3)18-14)15(21)19-4-5-24-8-13(19)16(22)23/h6-7,9,13H,4-5,8H2,1-3H3,(H,22,23)
InChIKeyPBRDFGVZGZVNIB-UHFFFAOYSA-N
XLogP1.25
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-3-carboxylic acid
CID 136551289
4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid
CID 113439193
azepan-1-yl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 18131924
[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55483658
(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 136557477
(4-methoxypiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 56810635
[4-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119559795
[4-(aminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 119422908
[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-phenylmethanone
CID 41310175
propan-2-yl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 55473328
(3S)-4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]morpholine-3-carboxylic acid
CID 125133041
(3-methylpiperazin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119576277

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)morpholine-3-carboxylic acid (CID 120521790) is 4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)morpholine-3-carboxylic acid is Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCOCC1C(=O)O.
What is the InChIKey of 4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is PBRDFGVZGZVNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-9(2)20-14-11(7-17-20)6-12(10(3)18-14)15(21)19-4-5-24-8-13(19)16(22)23/h6-7,9,13H,4-5,8H2,1-3H3,(H,22,23).
What are the key properties of 4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)morpholine-3-carboxylic acid?
4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 120521790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).