methyl 2-[[4-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]benzoyl]amino]acetate

C24H23N5O5 — CID 33088168

IUPACmethyl 2-[[4-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1
InChIInChI=1S/C24H23N5O5/c1-14(2)29-22-18(12-26-29)17(11-19(28-22)20-5-4-10-34-20)24(32)27-16-8-6-15(7-9-16)23(31)25-13-21(30)33-3/h4-12,14H,13H2,1-3H3,(H,25,31)(H,27,32)
InChIKeySZNKRWVJLDIVMZ-UHFFFAOYSA-N
MW461.48 g/mol
LogP3.43
Rot. Bonds7

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

methyl 2-[[4-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]benzoyl]amino]acetate (PubChem CID 33088168) has the molecular formula C24H23N5O5 and a molecular weight of 461.48 g/mol. Its IUPAC name is methyl 2-[[4-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]benzoyl]amino]acetate
PubChem CID33088168
Molecular FormulaC24H23N5O5
Molecular Weight461.48 g/mol
Exact Mass461.17
IUPAC Namemethyl 2-[[4-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1
InChIInChI=1S/C24H23N5O5/c1-14(2)29-22-18(12-26-29)17(11-19(28-22)20-5-4-10-34-20)24(32)27-16-8-6-15(7-9-16)23(31)25-13-21(30)33-3/h4-12,14H,13H2,1-3H3,(H,25,31)(H,27,32)
InChIKeySZNKRWVJLDIVMZ-UHFFFAOYSA-N
XLogP3.43
TPSA128.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-[4-(ethylcarbamoyl)phenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55802028
N-[2-(4-bromoanilino)-2-oxoethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55879267
N-(2-benzamidoethyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38206296
6-(furan-2-yl)-1-propan-2-yl-N-[4-(sulfamoylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24676072
S-[4-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529535
N-[2-(ethylamino)-2-oxoethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86914644
6-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24574898
propan-2-yl 3-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate
CID 51292319
methyl 2-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-2-methylpropanoate
CID 30875618
6-(furan-2-yl)-N-(1H-indazol-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134037517
N-ethoxy-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46536338
N-[(3,5-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55577108

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]benzoyl]amino]acetate (CID 33088168) is methyl 2-[[4-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1.
What is the InChIKey of methyl 2-[[4-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]benzoyl]amino]acetate?
The InChIKey is SZNKRWVJLDIVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O5/c1-14(2)29-22-18(12-26-29)17(11-19(28-22)20-5-4-10-34-20)24(32)27-16-8-6-15(7-9-16)23(31)25-13-21(30)33-3/h4-12,14H,13H2,1-3H3,(H,25,31)(H,27,32).
What are the key properties of methyl 2-[[4-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]benzoyl]amino]acetate?
methyl 2-[[4-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]benzoyl]amino]acetate has a molecular weight of 461.48 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]benzoyl]amino]acetate is sourced from PubChem (CID 33088168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).