[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C25H28N6O2 — CID 55487028

IUPAC[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C25H28N6O2/c1-16(2)31-24-21(15-27-31)20(14-22(28-24)19-13-17(3)33-18(19)4)25(32)30-11-9-29(10-12-30)23-7-5-6-8-26-23/h5-8,13-16H,9-12H2,1-4H3
InChIKeyZZWIPZWFRYNIME-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.25
Rot. Bonds4

About [6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 55487028) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is [6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID55487028
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C25H28N6O2/c1-16(2)31-24-21(15-27-31)20(14-22(28-24)19-13-17(3)33-18(19)4)25(32)30-11-9-29(10-12-30)23-7-5-6-8-26-23/h5-8,13-16H,9-12H2,1-4H3
InChIKeyZZWIPZWFRYNIME-UHFFFAOYSA-N
XLogP4.25
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone with MolForge

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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
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-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide
CID 78835364
[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[(4R,6S)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone
CID 166245190
[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 46507989
[4-(2-chlorophenyl)piperazin-1-yl]-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 46559622
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 55497689
[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 26026281
6-(2,5-dimethylfuran-3-yl)-N-(2-methoxy-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55795053
(4-methyl-1,4-diazepan-1-yl)-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 78835832
6-(2,5-dimethylfuran-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 112807922
6-(2,5-dimethylfuran-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55595224

Frequently Asked Questions

What is the IUPAC name of [6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [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) is [6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1cc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3cnn(C(C)C)c3n2)c(C)o1.
What is the InChIKey of [6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ZZWIPZWFRYNIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-16(2)31-24-21(15-27-31)20(14-22(28-24)19-13-17(3)33-18(19)4)25(32)30-11-9-29(10-12-30)23-7-5-6-8-26-23/h5-8,13-16H,9-12H2,1-4H3.
What are the key properties of [6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 444.54 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 55487028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).