1-(7H-cyclopenta[b]pyridin-4-yl)-2-(4-imidazo[1,2-a]pyridin-2-yl-9H-fluoren-9-yl)ethanone

C30H21N3O — CID 149420449

IUPAC1-(7H-cyclopenta[b]pyridin-4-yl)-2-(4-imidazo[1,2-a]pyridin-2-yl-9H-fluoren-9-yl)ethanone
SMILESO=C(CC1c2ccccc2-c2c(-c3cn4ccccc4n3)cccc21)c1ccnc2c1C=CC2
InChIInChI=1S/C30H21N3O/c34-28(21-14-15-31-26-12-6-9-20(21)26)17-25-19-7-1-2-8-22(19)30-23(25)10-5-11-24(30)27-18-33-16-4-3-13-29(33)32-27/h1-11,13-16,18,25H,12,17H2
InChIKeyYTAWJVZQEHXPMZ-UHFFFAOYSA-N
MW439.52 g/mol
LogP6.35
Rot. Bonds4

About 1-(7H-cyclopenta[b]pyridin-4-yl)-2-(4-imidazo[1,2-a]pyridin-2-yl-9H-fluoren-9-yl)ethanone

1-(7H-cyclopenta[b]pyridin-4-yl)-2-(4-imidazo[1,2-a]pyridin-2-yl-9H-fluoren-9-yl)ethanone (PubChem CID 149420449) 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-imidazo[1,2-a]pyridin-2-yl-9H-fluoren-9-yl)ethanone.

Molecular Properties

Compound Name1-(7H-cyclopenta[b]pyridin-4-yl)-2-(4-imidazo[1,2-a]pyridin-2-yl-9H-fluoren-9-yl)ethanone
PubChem CID149420449
Molecular FormulaC30H21N3O
Molecular Weight439.52 g/mol
Exact Mass439.17
IUPAC Name1-(7H-cyclopenta[b]pyridin-4-yl)-2-(4-imidazo[1,2-a]pyridin-2-yl-9H-fluoren-9-yl)ethanone
SMILESO=C(CC1c2ccccc2-c2c(-c3cn4ccccc4n3)cccc21)c1ccnc2c1C=CC2
InChIInChI=1S/C30H21N3O/c34-28(21-14-15-31-26-12-6-9-20(21)26)17-25-19-7-1-2-8-22(19)30-23(25)10-5-11-24(30)27-18-33-16-4-3-13-29(33)32-27/h1-11,13-16,18,25H,12,17H2
InChIKeyYTAWJVZQEHXPMZ-UHFFFAOYSA-N
XLogP6.35
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7H-cyclopenta[b]pyridin-4-yl)-2-(4-imidazo[1,2-a]pyridin-2-yl-9H-fluoren-9-yl)ethanone?
The IUPAC name of 1-(7H-cyclopenta[b]pyridin-4-yl)-2-(4-imidazo[1,2-a]pyridin-2-yl-9H-fluoren-9-yl)ethanone (CID 149420449) is 1-(7H-cyclopenta[b]pyridin-4-yl)-2-(4-imidazo[1,2-a]pyridin-2-yl-9H-fluoren-9-yl)ethanone.
What is the SMILES notation for 1-(7H-cyclopenta[b]pyridin-4-yl)-2-(4-imidazo[1,2-a]pyridin-2-yl-9H-fluoren-9-yl)ethanone?
The canonical SMILES for 1-(7H-cyclopenta[b]pyridin-4-yl)-2-(4-imidazo[1,2-a]pyridin-2-yl-9H-fluoren-9-yl)ethanone is O=C(CC1c2ccccc2-c2c(-c3cn4ccccc4n3)cccc21)c1ccnc2c1C=CC2.
What is the InChIKey of 1-(7H-cyclopenta[b]pyridin-4-yl)-2-(4-imidazo[1,2-a]pyridin-2-yl-9H-fluoren-9-yl)ethanone?
The InChIKey is YTAWJVZQEHXPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3O/c34-28(21-14-15-31-26-12-6-9-20(21)26)17-25-19-7-1-2-8-22(19)30-23(25)10-5-11-24(30)27-18-33-16-4-3-13-29(33)32-27/h1-11,13-16,18,25H,12,17H2.
What are the key properties of 1-(7H-cyclopenta[b]pyridin-4-yl)-2-(4-imidazo[1,2-a]pyridin-2-yl-9H-fluoren-9-yl)ethanone?
1-(7H-cyclopenta[b]pyridin-4-yl)-2-(4-imidazo[1,2-a]pyridin-2-yl-9H-fluoren-9-yl)ethanone has a molecular weight of 439.52 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7H-cyclopenta[b]pyridin-4-yl)-2-(4-imidazo[1,2-a]pyridin-2-yl-9H-fluoren-9-yl)ethanone is sourced from PubChem (CID 149420449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).