1-[5-[3-ethyl-7-oxido-2-(1-propan-2-ylazetidin-3-yl)-6H-pyrazolo[3,4-b]pyridin-5-yl]-6-propoxy-3-pyridinyl]ethanone

C24H32N5O3- — CID 87924578

IUPAC1-[5-[3-ethyl-7-oxido-2-(1-propan-2-ylazetidin-3-yl)-6H-pyrazolo[3,4-b]pyridin-5-yl]-6-propoxy-3-pyridinyl]ethanone
SMILESCCCOc1ncc(C(C)=O)cc1C1=Cc2c(nn(C3CN(C(C)C)C3)c2CC)N([O-])C1
InChIInChI=1S/C24H32N5O3/c1-6-8-32-24-20(9-17(11-25-24)16(5)30)18-10-21-22(7-2)29(26-23(21)28(31)12-18)19-13-27(14-19)15(3)4/h9-11,15,19H,6-8,12-14H2,1-5H3/q-1
InChIKeyPUTLCZWAUDWANQ-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.96
Rot. Bonds8

About 1-[5-[3-ethyl-7-oxido-2-(1-propan-2-ylazetidin-3-yl)-6H-pyrazolo[3,4-b]pyridin-5-yl]-6-propoxy-3-pyridinyl]ethanone

1-[5-[3-ethyl-7-oxido-2-(1-propan-2-ylazetidin-3-yl)-6H-pyrazolo[3,4-b]pyridin-5-yl]-6-propoxy-3-pyridinyl]ethanone (PubChem CID 87924578) has the molecular formula C24H32N5O3- and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-[5-[3-ethyl-7-oxido-2-(1-propan-2-ylazetidin-3-yl)-6H-pyrazolo[3,4-b]pyridin-5-yl]-6-propoxy-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-[3-ethyl-7-oxido-2-(1-propan-2-ylazetidin-3-yl)-6H-pyrazolo[3,4-b]pyridin-5-yl]-6-propoxy-3-pyridinyl]ethanone
PubChem CID87924578
Molecular FormulaC24H32N5O3-
Molecular Weight438.55 g/mol
Exact Mass438.25
IUPAC Name1-[5-[3-ethyl-7-oxido-2-(1-propan-2-ylazetidin-3-yl)-6H-pyrazolo[3,4-b]pyridin-5-yl]-6-propoxy-3-pyridinyl]ethanone
SMILESCCCOc1ncc(C(C)=O)cc1C1=Cc2c(nn(C3CN(C(C)C)C3)c2CC)N([O-])C1
InChIInChI=1S/C24H32N5O3/c1-6-8-32-24-20(9-17(11-25-24)16(5)30)18-10-21-22(7-2)29(26-23(21)28(31)12-18)19-13-27(14-19)15(3)4/h9-11,15,19H,6-8,12-14H2,1-5H3/q-1
InChIKeyPUTLCZWAUDWANQ-UHFFFAOYSA-N
XLogP3.96
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[5-[3-ethyl-7-oxido-2-(1-propan-2-ylazetidin-3-yl)-6H-pyrazolo[3,4-b]pyridin-5-yl]-6-propoxy-3-pyridinyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-ethyl-7-oxido-2-(1-propan-2-ylazetidin-3-yl)-6H-pyrazolo[3,4-b]pyridin-5-yl]-6-propoxy-3-pyridinyl]ethanone?
The IUPAC name of 1-[5-[3-ethyl-7-oxido-2-(1-propan-2-ylazetidin-3-yl)-6H-pyrazolo[3,4-b]pyridin-5-yl]-6-propoxy-3-pyridinyl]ethanone (CID 87924578) is 1-[5-[3-ethyl-7-oxido-2-(1-propan-2-ylazetidin-3-yl)-6H-pyrazolo[3,4-b]pyridin-5-yl]-6-propoxy-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-[3-ethyl-7-oxido-2-(1-propan-2-ylazetidin-3-yl)-6H-pyrazolo[3,4-b]pyridin-5-yl]-6-propoxy-3-pyridinyl]ethanone?
The canonical SMILES for 1-[5-[3-ethyl-7-oxido-2-(1-propan-2-ylazetidin-3-yl)-6H-pyrazolo[3,4-b]pyridin-5-yl]-6-propoxy-3-pyridinyl]ethanone is CCCOc1ncc(C(C)=O)cc1C1=Cc2c(nn(C3CN(C(C)C)C3)c2CC)N([O-])C1.
What is the InChIKey of 1-[5-[3-ethyl-7-oxido-2-(1-propan-2-ylazetidin-3-yl)-6H-pyrazolo[3,4-b]pyridin-5-yl]-6-propoxy-3-pyridinyl]ethanone?
The InChIKey is PUTLCZWAUDWANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N5O3/c1-6-8-32-24-20(9-17(11-25-24)16(5)30)18-10-21-22(7-2)29(26-23(21)28(31)12-18)19-13-27(14-19)15(3)4/h9-11,15,19H,6-8,12-14H2,1-5H3/q-1.
What are the key properties of 1-[5-[3-ethyl-7-oxido-2-(1-propan-2-ylazetidin-3-yl)-6H-pyrazolo[3,4-b]pyridin-5-yl]-6-propoxy-3-pyridinyl]ethanone?
1-[5-[3-ethyl-7-oxido-2-(1-propan-2-ylazetidin-3-yl)-6H-pyrazolo[3,4-b]pyridin-5-yl]-6-propoxy-3-pyridinyl]ethanone has a molecular weight of 438.55 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-ethyl-7-oxido-2-(1-propan-2-ylazetidin-3-yl)-6H-pyrazolo[3,4-b]pyridin-5-yl]-6-propoxy-3-pyridinyl]ethanone is sourced from PubChem (CID 87924578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).