2-[4-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide

C23H30N6O3 — CID 78835364

IUPAC2-[4-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)CC1
InChIInChI=1S/C23H30N6O3/c1-14(2)29-22-19(12-25-29)18(11-20(26-22)17-10-15(3)32-16(17)4)23(31)28-8-6-27(7-9-28)13-21(30)24-5/h10-12,14H,6-9,13H2,1-5H3,(H,24,30)
InChIKeyKMHIRAJQJGMGFP-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.39
Rot. Bonds5

About 2-[4-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide

2-[4-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide (PubChem CID 78835364) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-[4-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide
PubChem CID78835364
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC Name2-[4-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)CC1
InChIInChI=1S/C23H30N6O3/c1-14(2)29-22-19(12-25-29)18(11-20(26-22)17-10-15(3)32-16(17)4)23(31)28-8-6-27(7-9-28)13-21(30)24-5/h10-12,14H,6-9,13H2,1-5H3,(H,24,30)
InChIKeyKMHIRAJQJGMGFP-UHFFFAOYSA-N
XLogP2.39
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918933
[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 55487028
6-(2,5-dimethylfuran-3-yl)-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119500414
N-[1-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]benzamide
CID 43040476
2-[4-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-propylacetamide
CID 55508241
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119382405
6-(2,5-dimethylfuran-3-yl)-N-(1-hydroxypropan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78857387
6-(2,5-dimethylfuran-3-yl)-N-(1-morpholin-4-ylpropan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55776597
N-butyl-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55485914
N-butyl-2-[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-yl]acetamide
CID 43045278
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693022
N-(3-aminopropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119405283

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide (CID 78835364) is 2-[4-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(C(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)CC1.
What is the InChIKey of 2-[4-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide?
The InChIKey is KMHIRAJQJGMGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-14(2)29-22-19(12-25-29)18(11-20(26-22)17-10-15(3)32-16(17)4)23(31)28-8-6-27(7-9-28)13-21(30)24-5/h10-12,14H,6-9,13H2,1-5H3,(H,24,30).
What are the key properties of 2-[4-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide?
2-[4-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide has a molecular weight of 438.53 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 78835364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).