4-[6-(furan-3-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one

C20H21N7O2 — CID 155484414

IUPAC4-[6-(furan-3-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one
SMILESCC1C(=O)N(C)CCN1c1nc2c(-c3cnn(C)c3)n[nH]c2cc1-c1ccoc1
InChIInChI=1S/C20H21N7O2/c1-12-20(28)25(2)5-6-27(12)19-15(13-4-7-29-11-13)8-16-18(22-19)17(24-23-16)14-9-21-26(3)10-14/h4,7-12H,5-6H2,1-3H3,(H,23,24)
InChIKeyGLXWEIBRYUPGMI-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.29
Rot. Bonds3

About 4-[6-(furan-3-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one

4-[6-(furan-3-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one (PubChem CID 155484414) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 4-[6-(furan-3-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[6-(furan-3-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one
PubChem CID155484414
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name4-[6-(furan-3-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one
SMILESCC1C(=O)N(C)CCN1c1nc2c(-c3cnn(C)c3)n[nH]c2cc1-c1ccoc1
InChIInChI=1S/C20H21N7O2/c1-12-20(28)25(2)5-6-27(12)19-15(13-4-7-29-11-13)8-16-18(22-19)17(24-23-16)14-9-21-26(3)10-14/h4,7-12H,5-6H2,1-3H3,(H,23,24)
InChIKeyGLXWEIBRYUPGMI-UHFFFAOYSA-N
XLogP2.29
TPSA96.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[4-[3-(4-methoxyphenyl)pyrazol-1-yl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024302
1-(4-benzoylpiperazin-1-yl)-2-[4-[3-(2-methoxyphenyl)pyrazol-1-yl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024497
3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 25190977
3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 25222706
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CID 46225574
3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propyl)-1H-indole-2-carboxamide
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(2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propan-2-amine
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N-[5-(furan-3-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
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(2R)-1-[1-(4-methoxyphenyl)cyclobutanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 168299729
6-(furan-3-yl)-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
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Frequently Asked Questions

What is the IUPAC name of 4-[6-(furan-3-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[6-(furan-3-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one (CID 155484414) is 4-[6-(furan-3-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[6-(furan-3-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[6-(furan-3-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one is CC1C(=O)N(C)CCN1c1nc2c(-c3cnn(C)c3)n[nH]c2cc1-c1ccoc1.
What is the InChIKey of 4-[6-(furan-3-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one?
The InChIKey is GLXWEIBRYUPGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-12-20(28)25(2)5-6-27(12)19-15(13-4-7-29-11-13)8-16-18(22-19)17(24-23-16)14-9-21-26(3)10-14/h4,7-12H,5-6H2,1-3H3,(H,23,24).
What are the key properties of 4-[6-(furan-3-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one?
4-[6-(furan-3-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one has a molecular weight of 391.44 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(furan-3-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one is sourced from PubChem (CID 155484414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).