1-benzofuran-5-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone

C21H19N3O2 — CID 162749353

IUPAC1-benzofuran-5-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2occc2c1)N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C21H19N3O2/c25-21(16-3-4-19-15(12-16)7-11-26-19)24-9-5-14(6-10-24)18-13-23-20-17(18)2-1-8-22-20/h1-4,7-8,11-14H,5-6,9-10H2,(H,22,23)
InChIKeyMYWGCXWHMPEFDZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.33
Rot. Bonds2

About 1-benzofuran-5-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone

1-benzofuran-5-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 162749353) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-benzofuran-5-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-5-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID162749353
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name1-benzofuran-5-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2occc2c1)N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C21H19N3O2/c25-21(16-3-4-19-15(12-16)7-11-26-19)24-9-5-14(6-10-24)18-13-23-20-17(18)2-1-8-22-20/h1-4,7-8,11-14H,5-6,9-10H2,(H,22,23)
InChIKeyMYWGCXWHMPEFDZ-UHFFFAOYSA-N
XLogP4.33
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749250
2-fluoro-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzonitrile
CID 162749208
N-[4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 162749484
N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 51118955
isoquinolin-3-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749283
[4-(methylsulfanylmethyl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 87010084
methyl N-[2-fluoro-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]phenyl]carbamate
CID 162749416
N-[3-(morpholine-4-carbonyl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
CID 154837916
[4-methoxy-3-(trifluoromethyl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749408
1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
CID 141096620
(3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 100673448
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidine-1-carbonyl fluoride
CID 89186227

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-5-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-5-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone (CID 162749353) is 1-benzofuran-5-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-5-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-5-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone is O=C(c1ccc2occc2c1)N1CCC(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of 1-benzofuran-5-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is MYWGCXWHMPEFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-21(16-3-4-19-15(12-16)7-11-26-19)24-9-5-14(6-10-24)18-13-23-20-17(18)2-1-8-22-20/h1-4,7-8,11-14H,5-6,9-10H2,(H,22,23).
What are the key properties of 1-benzofuran-5-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone?
1-benzofuran-5-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 345.40 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-5-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 162749353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).