methyl 2-methyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoate

C16H22N4O3 — CID 47089692

IUPACmethyl 2-methyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoate
SMILESCCC(C)(NC(=O)c1cc(C)nc2c1c(C)nn2C)C(=O)OC
InChIInChI=1S/C16H22N4O3/c1-7-16(4,15(22)23-6)18-14(21)11-8-9(2)17-13-12(11)10(3)19-20(13)5/h8H,7H2,1-6H3,(H,18,21)
InChIKeyCPWMAVCVPYESHM-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.66
Rot. Bonds4

About methyl 2-methyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoate

methyl 2-methyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoate (PubChem CID 47089692) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is methyl 2-methyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoate
PubChem CID47089692
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Namemethyl 2-methyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoate
SMILESCCC(C)(NC(=O)c1cc(C)nc2c1c(C)nn2C)C(=O)OC
InChIInChI=1S/C16H22N4O3/c1-7-16(4,15(22)23-6)18-14(21)11-8-9(2)17-13-12(11)10(3)19-20(13)5/h8H,7H2,1-6H3,(H,18,21)
InChIKeyCPWMAVCVPYESHM-UHFFFAOYSA-N
XLogP1.66
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoate?
The IUPAC name of methyl 2-methyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoate (CID 47089692) is methyl 2-methyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 2-methyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoate?
The canonical SMILES for methyl 2-methyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoate is CCC(C)(NC(=O)c1cc(C)nc2c1c(C)nn2C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoate?
The InChIKey is CPWMAVCVPYESHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-7-16(4,15(22)23-6)18-14(21)11-8-9(2)17-13-12(11)10(3)19-20(13)5/h8H,7H2,1-6H3,(H,18,21).
What are the key properties of methyl 2-methyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoate?
methyl 2-methyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoate has a molecular weight of 318.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoate is sourced from PubChem (CID 47089692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).