N-[3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide

C23H18N4O — CID 11952605

IUPACN-[3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)c1
InChIInChI=1S/C23H18N4O/c1-14(28)27-19-4-2-3-15(10-19)18-11-20-21(13-26-23(20)25-12-18)16-5-6-22-17(9-16)7-8-24-22/h2-13,24H,1H3,(H,25,26)(H,27,28)
InChIKeyOOUFTKCBUKBEPI-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.34
Rot. Bonds3

About N-[3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide

N-[3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide (PubChem CID 11952605) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
PubChem CID11952605
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC NameN-[3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)c1
InChIInChI=1S/C23H18N4O/c1-14(28)27-19-4-2-3-15(10-19)18-11-20-21(13-26-23(20)25-12-18)16-5-6-22-17(9-16)7-8-24-22/h2-13,24H,1H3,(H,25,26)(H,27,28)
InChIKeyOOUFTKCBUKBEPI-UHFFFAOYSA-N
XLogP5.34
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide?
The IUPAC name of N-[3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide (CID 11952605) is N-[3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)c1.
What is the InChIKey of N-[3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide?
The InChIKey is OOUFTKCBUKBEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-14(28)27-19-4-2-3-15(10-19)18-11-20-21(13-26-23(20)25-12-18)16-5-6-22-17(9-16)7-8-24-22/h2-13,24H,1H3,(H,25,26)(H,27,28).
What are the key properties of N-[3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide?
N-[3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 5.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide is sourced from PubChem (CID 11952605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).