2,3-dihydropyrrol-1-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone

C16H13N3O2 — CID 143099156

IUPAC2,3-dihydropyrrol-1-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone
SMILESO=C(c1cnc2[nH]cc(-c3ccoc3)c2c1)N1C=CCC1
InChIInChI=1S/C16H13N3O2/c20-16(19-4-1-2-5-19)12-7-13-14(11-3-6-21-10-11)9-18-15(13)17-8-12/h1,3-4,6-10H,2,5H2,(H,17,18)
InChIKeyLUENAPSIGWDODE-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.18
Rot. Bonds2

About 2,3-dihydropyrrol-1-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone

2,3-dihydropyrrol-1-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone (PubChem CID 143099156) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2,3-dihydropyrrol-1-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone.

Molecular Properties

Compound Name2,3-dihydropyrrol-1-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone
PubChem CID143099156
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2,3-dihydropyrrol-1-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone
SMILESO=C(c1cnc2[nH]cc(-c3ccoc3)c2c1)N1C=CCC1
InChIInChI=1S/C16H13N3O2/c20-16(19-4-1-2-5-19)12-7-13-14(11-3-6-21-10-11)9-18-15(13)17-8-12/h1,3-4,6-10H,2,5H2,(H,17,18)
InChIKeyLUENAPSIGWDODE-UHFFFAOYSA-N
XLogP3.18
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 11218431
3-(furan-3-yl)-N-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 11244786
5-(3-chloro-4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 10086910
N-cyclohexyl-2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 59812101
5-(2,5-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59811910
3-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol
CID 155519853
3-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde
CID 175416952
3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 10379453
[3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone
CID 141325162
morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone
CID 59699864
[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone
CID 146274494
4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 151646717

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrrol-1-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone?
The IUPAC name of 2,3-dihydropyrrol-1-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone (CID 143099156) is 2,3-dihydropyrrol-1-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone.
What is the SMILES notation for 2,3-dihydropyrrol-1-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone?
The canonical SMILES for 2,3-dihydropyrrol-1-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone is O=C(c1cnc2[nH]cc(-c3ccoc3)c2c1)N1C=CCC1.
What is the InChIKey of 2,3-dihydropyrrol-1-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone?
The InChIKey is LUENAPSIGWDODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-16(19-4-1-2-5-19)12-7-13-14(11-3-6-21-10-11)9-18-15(13)17-8-12/h1,3-4,6-10H,2,5H2,(H,17,18).
What are the key properties of 2,3-dihydropyrrol-1-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone?
2,3-dihydropyrrol-1-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone has a molecular weight of 279.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrrol-1-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone is sourced from PubChem (CID 143099156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).