3-[1-[1-(furan-2-ylmethyl)azetidin-3-yl]sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine

C20H24N4O3S — CID 146372945

IUPAC3-[1-[1-(furan-2-ylmethyl)azetidin-3-yl]sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESO=S(=O)(C1CN(Cc2ccco2)C1)N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C20H24N4O3S/c25-28(26,17-13-23(14-17)12-16-3-2-10-27-16)24-8-5-15(6-9-24)19-11-22-20-18(19)4-1-7-21-20/h1-4,7,10-11,15,17H,5-6,8-9,12-14H2,(H,21,22)
InChIKeySAVIPDLUROMYIK-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.55
Rot. Bonds5

About 3-[1-[1-(furan-2-ylmethyl)azetidin-3-yl]sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine

3-[1-[1-(furan-2-ylmethyl)azetidin-3-yl]sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 146372945) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-[1-[1-(furan-2-ylmethyl)azetidin-3-yl]sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[1-[1-(furan-2-ylmethyl)azetidin-3-yl]sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID146372945
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name3-[1-[1-(furan-2-ylmethyl)azetidin-3-yl]sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESO=S(=O)(C1CN(Cc2ccco2)C1)N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C20H24N4O3S/c25-28(26,17-13-23(14-17)12-16-3-2-10-27-16)24-8-5-15(6-9-24)19-11-22-20-18(19)4-1-7-21-20/h1-4,7,10-11,15,17H,5-6,8-9,12-14H2,(H,21,22)
InChIKeySAVIPDLUROMYIK-UHFFFAOYSA-N
XLogP2.55
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(furan-2-ylmethyl)azetidin-3-yl]sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[1-[1-(furan-2-ylmethyl)azetidin-3-yl]sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 146372945) is 3-[1-[1-(furan-2-ylmethyl)azetidin-3-yl]sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[1-[1-(furan-2-ylmethyl)azetidin-3-yl]sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[1-[1-(furan-2-ylmethyl)azetidin-3-yl]sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine is O=S(=O)(C1CN(Cc2ccco2)C1)N1CCC(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of 3-[1-[1-(furan-2-ylmethyl)azetidin-3-yl]sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SAVIPDLUROMYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c25-28(26,17-13-23(14-17)12-16-3-2-10-27-16)24-8-5-15(6-9-24)19-11-22-20-18(19)4-1-7-21-20/h1-4,7,10-11,15,17H,5-6,8-9,12-14H2,(H,21,22).
What are the key properties of 3-[1-[1-(furan-2-ylmethyl)azetidin-3-yl]sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
3-[1-[1-(furan-2-ylmethyl)azetidin-3-yl]sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 400.50 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(furan-2-ylmethyl)azetidin-3-yl]sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 146372945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).