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

C18H20N4O4 — CID 120523936

IUPAC2-methyl-5-[[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1cc(C(=O)NCc2cc(C(=O)O)c(C)o2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C18H20N4O4/c1-9(2)22-16-15(8-20-22)14(5-10(3)21-16)17(23)19-7-12-6-13(18(24)25)11(4)26-12/h5-6,8-9H,7H2,1-4H3,(H,19,23)(H,24,25)
InChIKeyKAIVRIAAXIHBKY-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.85
Rot. Bonds5

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

2-methyl-5-[[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 120523936) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-methyl-5-[[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid
PubChem CID120523936
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-methyl-5-[[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1cc(C(=O)NCc2cc(C(=O)O)c(C)o2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C18H20N4O4/c1-9(2)22-16-15(8-20-22)14(5-10(3)21-16)17(23)19-7-12-6-13(18(24)25)11(4)26-12/h5-6,8-9H,7H2,1-4H3,(H,19,23)(H,24,25)
InChIKeyKAIVRIAAXIHBKY-UHFFFAOYSA-N
XLogP2.85
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

6-methyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43044165
6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120828292
8-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]octanoic acid
CID 120535674
6-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 56714235
4-[2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]ethyl]benzoic acid
CID 120513011
N-[(3-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 45495918
N-[2-(ethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119504676
2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 120523353
4-methoxy-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 120702787
N-[(1-hydroxycyclopentyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 111333170
N-(2-amino-2-ethylbutyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119639741
N-[(2-ethoxy-4-pyridinyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 78876642

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid (CID 120523936) is 2-methyl-5-[[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid is Cc1cc(C(=O)NCc2cc(C(=O)O)c(C)o2)c2cnn(C(C)C)c2n1.
What is the InChIKey of 2-methyl-5-[[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is KAIVRIAAXIHBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-9(2)22-16-15(8-20-22)14(5-10(3)21-16)17(23)19-7-12-6-13(18(24)25)11(4)26-12/h5-6,8-9H,7H2,1-4H3,(H,19,23)(H,24,25).
What are the key properties of 2-methyl-5-[[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 120523936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).