3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide

C16H23N5O2 — CID 110242063

IUPAC3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide
SMILESCOCCC(=O)NCCn1nc(C2CCNC2)c2cccnc21
InChIInChI=1S/C16H23N5O2/c1-23-10-5-14(22)18-8-9-21-16-13(3-2-6-19-16)15(20-21)12-4-7-17-11-12/h2-3,6,12,17H,4-5,7-11H2,1H3,(H,18,22)
InChIKeyUSBCOTJXOSRQCB-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.66
Rot. Bonds7

About 3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide

3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide (PubChem CID 110242063) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide
PubChem CID110242063
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide
SMILESCOCCC(=O)NCCn1nc(C2CCNC2)c2cccnc21
InChIInChI=1S/C16H23N5O2/c1-23-10-5-14(22)18-8-9-21-16-13(3-2-6-19-16)15(20-21)12-4-7-17-11-12/h2-3,6,12,17H,4-5,7-11H2,1H3,(H,18,22)
InChIKeyUSBCOTJXOSRQCB-UHFFFAOYSA-N
XLogP0.66
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide?
The IUPAC name of 3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide (CID 110242063) is 3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide is COCCC(=O)NCCn1nc(C2CCNC2)c2cccnc21.
What is the InChIKey of 3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide?
The InChIKey is USBCOTJXOSRQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-23-10-5-14(22)18-8-9-21-16-13(3-2-6-19-16)15(20-21)12-4-7-17-11-12/h2-3,6,12,17H,4-5,7-11H2,1H3,(H,18,22).
What are the key properties of 3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide?
3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide has a molecular weight of 317.39 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide is sourced from PubChem (CID 110242063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).