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

C20H24N4O4 — CID 34485072

IUPACmethyl 2-methyl-5-[[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)c2cc3cnn(C(C)C)c3nc2C)oc1C
InChIInChI=1S/C20H24N4O4/c1-11(2)24-18-14(9-21-24)7-16(12(3)22-18)19(25)23(5)10-15-8-17(13(4)28-15)20(26)27-6/h7-9,11H,10H2,1-6H3
InChIKeyUZURUCBMKNBWBH-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.28
Rot. Bonds5

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

methyl 2-methyl-5-[[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]methyl]furan-3-carboxylate (PubChem CID 34485072) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is methyl 2-methyl-5-[[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]methyl]furan-3-carboxylate
PubChem CID34485072
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Namemethyl 2-methyl-5-[[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)c2cc3cnn(C(C)C)c3nc2C)oc1C
InChIInChI=1S/C20H24N4O4/c1-11(2)24-18-14(9-21-24)7-16(12(3)22-18)19(25)23(5)10-15-8-17(13(4)28-15)20(26)27-6/h7-9,11H,10H2,1-6H3
InChIKeyUZURUCBMKNBWBH-UHFFFAOYSA-N
XLogP3.28
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

N,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 36702758
methyl 5-[[(2,5-dimethylfuran-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484533
N-[(3-fluorophenyl)methyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17458660
N-[(2-hydroxycyclopentyl)methyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 109399967
N-[2-(4-chlorophenoxy)ethyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46684152
propan-2-yl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 55473328
methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate
CID 34484891
methyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate
CID 134037285
methyl 5-[[(2-fluorobenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31711214
methyl 5-[[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 78834055
methyl 2-methyl-5-[[methyl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylate
CID 30778475
methyl 5-[[5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 31713019

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]methyl]furan-3-carboxylate (CID 34485072) is methyl 2-methyl-5-[[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CN(C)C(=O)c2cc3cnn(C(C)C)c3nc2C)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]methyl]furan-3-carboxylate?
The InChIKey is UZURUCBMKNBWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-11(2)24-18-14(9-21-24)7-16(12(3)22-18)19(25)23(5)10-15-8-17(13(4)28-15)20(26)27-6/h7-9,11H,10H2,1-6H3.
What are the key properties of methyl 2-methyl-5-[[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]methyl]furan-3-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 34485072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).