1-(7H-cyclopenta[b]pyridin-4-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-9H-fluoren-9-yl]ethanone

C30H21N3O — CID 158694628

IUPAC1-(7H-cyclopenta[b]pyridin-4-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-9H-fluoren-9-yl]ethanone
SMILESO=C(CC1c2ccccc2-c2c(-c3cnc4[nH]ccc4c3)cccc21)c1ccnc2c1C=CC2
InChIInChI=1S/C30H21N3O/c34-28(23-12-14-31-27-10-4-8-22(23)27)16-26-21-5-1-2-6-24(21)29-20(7-3-9-25(26)29)19-15-18-11-13-32-30(18)33-17-19/h1-9,11-15,17,26H,10,16H2,(H,32,33)
InChIKeyIGTZLYKRQZEZCD-UHFFFAOYSA-N
MW439.52 g/mol
LogP6.58
Rot. Bonds4

About 1-(7H-cyclopenta[b]pyridin-4-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-9H-fluoren-9-yl]ethanone

1-(7H-cyclopenta[b]pyridin-4-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-9H-fluoren-9-yl]ethanone (PubChem CID 158694628) has the molecular formula C30H21N3O and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-(7H-cyclopenta[b]pyridin-4-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-9H-fluoren-9-yl]ethanone.

Molecular Properties

Compound Name1-(7H-cyclopenta[b]pyridin-4-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-9H-fluoren-9-yl]ethanone
PubChem CID158694628
Molecular FormulaC30H21N3O
Molecular Weight439.52 g/mol
Exact Mass439.17
IUPAC Name1-(7H-cyclopenta[b]pyridin-4-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-9H-fluoren-9-yl]ethanone
SMILESO=C(CC1c2ccccc2-c2c(-c3cnc4[nH]ccc4c3)cccc21)c1ccnc2c1C=CC2
InChIInChI=1S/C30H21N3O/c34-28(23-12-14-31-27-10-4-8-22(23)27)16-26-21-5-1-2-6-24(21)29-20(7-3-9-25(26)29)19-15-18-11-13-32-30(18)33-17-19/h1-9,11-15,17,26H,10,16H2,(H,32,33)
InChIKeyIGTZLYKRQZEZCD-UHFFFAOYSA-N
XLogP6.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7H-cyclopenta[b]pyridin-4-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-9H-fluoren-9-yl]ethanone?
The IUPAC name of 1-(7H-cyclopenta[b]pyridin-4-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-9H-fluoren-9-yl]ethanone (CID 158694628) is 1-(7H-cyclopenta[b]pyridin-4-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-9H-fluoren-9-yl]ethanone.
What is the SMILES notation for 1-(7H-cyclopenta[b]pyridin-4-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-9H-fluoren-9-yl]ethanone?
The canonical SMILES for 1-(7H-cyclopenta[b]pyridin-4-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-9H-fluoren-9-yl]ethanone is O=C(CC1c2ccccc2-c2c(-c3cnc4[nH]ccc4c3)cccc21)c1ccnc2c1C=CC2.
What is the InChIKey of 1-(7H-cyclopenta[b]pyridin-4-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-9H-fluoren-9-yl]ethanone?
The InChIKey is IGTZLYKRQZEZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3O/c34-28(23-12-14-31-27-10-4-8-22(23)27)16-26-21-5-1-2-6-24(21)29-20(7-3-9-25(26)29)19-15-18-11-13-32-30(18)33-17-19/h1-9,11-15,17,26H,10,16H2,(H,32,33).
What are the key properties of 1-(7H-cyclopenta[b]pyridin-4-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-9H-fluoren-9-yl]ethanone?
1-(7H-cyclopenta[b]pyridin-4-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-9H-fluoren-9-yl]ethanone has a molecular weight of 439.52 g/mol, XLogP of 6.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7H-cyclopenta[b]pyridin-4-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-9H-fluoren-9-yl]ethanone is sourced from PubChem (CID 158694628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).