[4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate

C21H22N4O3 — CID 31651902

IUPAC[4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCc1nn(C)c2ncc(C(=O)OCc3ccc(C(=O)N4CCCC4)cc3)cc12
InChIInChI=1S/C21H22N4O3/c1-14-18-11-17(12-22-19(18)24(2)23-14)21(27)28-13-15-5-7-16(8-6-15)20(26)25-9-3-4-10-25/h5-8,11-12H,3-4,9-10,13H2,1-2H3
InChIKeyHPIOPRNFQJCQAR-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.87
Rot. Bonds4

About [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate

[4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 31651902) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name[4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID31651902
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name[4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCc1nn(C)c2ncc(C(=O)OCc3ccc(C(=O)N4CCCC4)cc3)cc12
InChIInChI=1S/C21H22N4O3/c1-14-18-11-17(12-22-19(18)24(2)23-14)21(27)28-13-15-5-7-16(8-6-15)20(26)25-9-3-4-10-25/h5-8,11-12H,3-4,9-10,13H2,1-2H3
InChIKeyHPIOPRNFQJCQAR-UHFFFAOYSA-N
XLogP2.87
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate with MolForge

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Related Compounds

1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 119415537
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 32970535
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543986
[2-(4-tert-butylphenyl)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 46513987
[2-(2,5-diethylphenyl)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 31651791
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 46545423
[2-(diethylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 46519914
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875033
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119645490
(4-cyano-2-fluorophenyl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 31653930
methyl 2-[1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperidin-2-yl]acetate
CID 78901742
2-(3,5-dimethylphenoxy)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 47019045

Frequently Asked Questions

What is the IUPAC name of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate (CID 31651902) is [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate is Cc1nn(C)c2ncc(C(=O)OCc3ccc(C(=O)N4CCCC4)cc3)cc12.
What is the InChIKey of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is HPIOPRNFQJCQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-18-11-17(12-22-19(18)24(2)23-14)21(27)28-13-15-5-7-16(8-6-15)20(26)25-9-3-4-10-25/h5-8,11-12H,3-4,9-10,13H2,1-2H3.
What are the key properties of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 31651902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).