4-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid

C16H22N4O3 — CID 119346929

IUPAC4-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)N(C)CCCC(=O)O)c2cnn(C(C)C)c2n1
InChIInChI=1S/C16H22N4O3/c1-10(2)20-15-13(9-17-20)12(8-11(3)18-15)16(23)19(4)7-5-6-14(21)22/h8-10H,5-7H2,1-4H3,(H,21,22)
InChIKeyDWUFAKMZSKYAPR-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.26
Rot. Bonds6

About 4-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid

4-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid (PubChem CID 119346929) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
PubChem CID119346929
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name4-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)N(C)CCCC(=O)O)c2cnn(C(C)C)c2n1
InChIInChI=1S/C16H22N4O3/c1-10(2)20-15-13(9-17-20)12(8-11(3)18-15)16(23)19(4)7-5-6-14(21)22/h8-10H,5-7H2,1-4H3,(H,21,22)
InChIKeyDWUFAKMZSKYAPR-UHFFFAOYSA-N
XLogP2.26
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,6-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 86833507
2-methyl-3-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 120524365
3-[methyl-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
CID 119362666
8-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]octanoic acid
CID 120535674
2-[cyclopropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid
CID 120517676
N,6-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 43036683
N,6-dimethyl-N-(1-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43054671
N,6-dimethyl-N-piperidin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119441231
3-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516403
3-[3-ethoxypropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 120520330
6-methyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43044165
3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 120519941

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid (CID 119346929) is 4-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid is Cc1cc(C(=O)N(C)CCCC(=O)O)c2cnn(C(C)C)c2n1.
What is the InChIKey of 4-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid?
The InChIKey is DWUFAKMZSKYAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10(2)20-15-13(9-17-20)12(8-11(3)18-15)16(23)19(4)7-5-6-14(21)22/h8-10H,5-7H2,1-4H3,(H,21,22).
What are the key properties of 4-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid?
4-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid has a molecular weight of 318.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119346929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).