2-[2-[3-ethyl-5-(1H-indol-6-yl)phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C28H24N4O — CID 175617473

IUPAC2-[2-[3-ethyl-5-(1H-indol-6-yl)phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCCc1cc(-c2ccc3cc[nH]c3c2)cc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)c1
InChIInChI=1S/C28H24N4O/c1-2-17-11-21(19-4-3-18-5-8-29-25(18)14-19)13-22(12-17)26-15-20(6-9-30-26)27-16-23-24(32-27)7-10-31-28(23)33/h3-6,8-9,11-16,29,32H,2,7,10H2,1H3,(H,31,33)
InChIKeyMFTVKSINCWLNLK-UHFFFAOYSA-N
MW432.53 g/mol
LogP5.74
Rot. Bonds4

About 2-[2-[3-ethyl-5-(1H-indol-6-yl)phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-[2-[3-ethyl-5-(1H-indol-6-yl)phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 175617473) has the molecular formula C28H24N4O and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-[2-[3-ethyl-5-(1H-indol-6-yl)phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-[3-ethyl-5-(1H-indol-6-yl)phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID175617473
Molecular FormulaC28H24N4O
Molecular Weight432.53 g/mol
Exact Mass432.20
IUPAC Name2-[2-[3-ethyl-5-(1H-indol-6-yl)phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCCc1cc(-c2ccc3cc[nH]c3c2)cc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)c1
InChIInChI=1S/C28H24N4O/c1-2-17-11-21(19-4-3-18-5-8-29-25(18)14-19)13-22(12-17)26-15-20(6-9-30-26)27-16-23-24(32-27)7-10-31-28(23)33/h3-6,8-9,11-16,29,32H,2,7,10H2,1H3,(H,31,33)
InChIKeyMFTVKSINCWLNLK-UHFFFAOYSA-N
XLogP5.74
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 55.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-ethyl-5-(1H-indol-6-yl)phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[2-[3-ethyl-5-(1H-indol-6-yl)phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 175617473) is 2-[2-[3-ethyl-5-(1H-indol-6-yl)phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[2-[3-ethyl-5-(1H-indol-6-yl)phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[2-[3-ethyl-5-(1H-indol-6-yl)phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is CCc1cc(-c2ccc3cc[nH]c3c2)cc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)c1.
What is the InChIKey of 2-[2-[3-ethyl-5-(1H-indol-6-yl)phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is MFTVKSINCWLNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O/c1-2-17-11-21(19-4-3-18-5-8-29-25(18)14-19)13-22(12-17)26-15-20(6-9-30-26)27-16-23-24(32-27)7-10-31-28(23)33/h3-6,8-9,11-16,29,32H,2,7,10H2,1H3,(H,31,33).
What are the key properties of 2-[2-[3-ethyl-5-(1H-indol-6-yl)phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[2-[3-ethyl-5-(1H-indol-6-yl)phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 432.53 g/mol, XLogP of 5.74, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-ethyl-5-(1H-indol-6-yl)phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 175617473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).