2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide

C23H21N5O2 — CID 122280244

IUPAC2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESCC(C(=O)Nc1c(-c2ccccc2)nc2ccccn12)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C23H21N5O2/c1-15(28-20(29)14-17-10-7-11-18(17)26-28)23(30)25-22-21(16-8-3-2-4-9-16)24-19-12-5-6-13-27(19)22/h2-6,8-9,12-15H,7,10-11H2,1H3,(H,25,30)
InChIKeyWTAIPRGNRCWIAY-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.25
Rot. Bonds4

About 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide

2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide (PubChem CID 122280244) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide.

Molecular Properties

Compound Name2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide
PubChem CID122280244
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESCC(C(=O)Nc1c(-c2ccccc2)nc2ccccn12)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C23H21N5O2/c1-15(28-20(29)14-17-10-7-11-18(17)26-28)23(30)25-22-21(16-8-3-2-4-9-16)24-19-12-5-6-13-27(19)22/h2-6,8-9,12-15H,7,10-11H2,1H3,(H,25,30)
InChIKeyWTAIPRGNRCWIAY-UHFFFAOYSA-N
XLogP3.25
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide?
The IUPAC name of 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide (CID 122280244) is 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide.
What is the SMILES notation for 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide?
The canonical SMILES for 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide is CC(C(=O)Nc1c(-c2ccccc2)nc2ccccn12)n1nc2c(cc1=O)CCC2.
What is the InChIKey of 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide?
The InChIKey is WTAIPRGNRCWIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-15(28-20(29)14-17-10-7-11-18(17)26-28)23(30)25-22-21(16-8-3-2-4-9-16)24-19-12-5-6-13-27(19)22/h2-6,8-9,12-15H,7,10-11H2,1H3,(H,25,30).
What are the key properties of 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide?
2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide has a molecular weight of 399.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide is sourced from PubChem (CID 122280244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).