2-(furan-2-yl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone

C18H19N3O2 — CID 112533770

IUPAC2-(furan-2-yl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone
SMILESO=C(Cc1ccco1)n1cc(C2CCNCC2)c2ncccc21
InChIInChI=1S/C18H19N3O2/c22-17(11-14-3-2-10-23-14)21-12-15(13-5-8-19-9-6-13)18-16(21)4-1-7-20-18/h1-4,7,10,12-13,19H,5-6,8-9,11H2
InChIKeySMOZCAQOZKVPAY-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.98
Rot. Bonds3

About 2-(furan-2-yl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone

2-(furan-2-yl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone (PubChem CID 112533770) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-(furan-2-yl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone
PubChem CID112533770
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-(furan-2-yl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone
SMILESO=C(Cc1ccco1)n1cc(C2CCNCC2)c2ncccc21
InChIInChI=1S/C18H19N3O2/c22-17(11-14-3-2-10-23-14)21-12-15(13-5-8-19-9-6-13)18-16(21)4-1-7-20-18/h1-4,7,10,12-13,19H,5-6,8-9,11H2
InChIKeySMOZCAQOZKVPAY-UHFFFAOYSA-N
XLogP2.98
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)-2-pyridin-3-ylethanone
CID 112533773
3-phenoxy-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)propan-1-one
CID 112533904
2,2,2-trifluoro-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone
CID 112533837
2-(furan-2-yl)-N-piperidin-4-ylacetamide
CID 110484596
3-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine;oxalic acid
CID 159440701
1-cyclopropyl-2-(furan-2-yl)ethanone
CID 83172331
3-piperidin-4-ylpyridine-2-carboxamide;hydrochloride
CID 178067188
4-(furan-2-ylmethyl)piperidine
CID 83480581
5-(piperidin-4-ylmethyl)quinolin-8-ol
CID 117358047
1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone
CID 83619262
(3-piperidin-4-yl-2-pyridinyl)methanamine
CID 152769821
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(furan-2-yl)ethanone
CID 83172966

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone?
The IUPAC name of 2-(furan-2-yl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone (CID 112533770) is 2-(furan-2-yl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone.
What is the SMILES notation for 2-(furan-2-yl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone?
The canonical SMILES for 2-(furan-2-yl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone is O=C(Cc1ccco1)n1cc(C2CCNCC2)c2ncccc21.
What is the InChIKey of 2-(furan-2-yl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone?
The InChIKey is SMOZCAQOZKVPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-17(11-14-3-2-10-23-14)21-12-15(13-5-8-19-9-6-13)18-16(21)4-1-7-20-18/h1-4,7,10,12-13,19H,5-6,8-9,11H2.
What are the key properties of 2-(furan-2-yl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone?
2-(furan-2-yl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone has a molecular weight of 309.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone is sourced from PubChem (CID 112533770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).