3-(furan-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C22H18N4O2 — CID 11372137

IUPAC3-(furan-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cnc2[nH]cc(-c3ccoc3)c2c1
InChIInChI=1S/C22H18N4O2/c27-22(23-7-5-14-10-24-20-4-2-1-3-17(14)20)16-9-18-19(15-6-8-28-13-15)12-26-21(18)25-11-16/h1-4,6,8-13,24H,5,7H2,(H,23,27)(H,25,26)
InChIKeyNGUNXVXGQQWQGN-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.28
Rot. Bonds5

About 3-(furan-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

3-(furan-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 11372137) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-(furan-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-(furan-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID11372137
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name3-(furan-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cnc2[nH]cc(-c3ccoc3)c2c1
InChIInChI=1S/C22H18N4O2/c27-22(23-7-5-14-10-24-20-4-2-1-3-17(14)20)16-9-18-19(15-6-8-28-13-15)12-26-21(18)25-11-16/h1-4,6,8-13,24H,5,7H2,(H,23,27)(H,25,26)
InChIKeyNGUNXVXGQQWQGN-UHFFFAOYSA-N
XLogP4.28
TPSA86.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 3-(furan-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 11372137) is 3-(furan-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-(furan-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 3-(furan-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cnc2[nH]cc(-c3ccoc3)c2c1.
What is the InChIKey of 3-(furan-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is NGUNXVXGQQWQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-22(23-7-5-14-10-24-20-4-2-1-3-17(14)20)16-9-18-19(15-6-8-28-13-15)12-26-21(18)25-11-16/h1-4,6,8-13,24H,5,7H2,(H,23,27)(H,25,26).
What are the key properties of 3-(furan-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
3-(furan-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 11372137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).