2-(5-chloro-2-pyridinyl)-5-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one

C23H15ClN6O — CID 22032428

IUPAC2-(5-chloro-2-pyridinyl)-5-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one
SMILESO=C1c2ccc(-c3cnc4ccc(-c5cn[nH]c5)cn34)cc2CN1c1ccc(Cl)cn1
InChIInChI=1S/C23H15ClN6O/c24-18-3-6-22(25-10-18)30-13-16-7-14(1-4-19(16)23(30)31)20-11-26-21-5-2-15(12-29(20)21)17-8-27-28-9-17/h1-12H,13H2,(H,27,28)
InChIKeyPLSZJXVUZHEQCR-UHFFFAOYSA-N
MW426.87 g/mol
LogP4.60
Rot. Bonds3

About 2-(5-chloro-2-pyridinyl)-5-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one

2-(5-chloro-2-pyridinyl)-5-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one (PubChem CID 22032428) has the molecular formula C23H15ClN6O and a molecular weight of 426.87 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-5-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-5-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one
PubChem CID22032428
Molecular FormulaC23H15ClN6O
Molecular Weight426.87 g/mol
Exact Mass426.10
IUPAC Name2-(5-chloro-2-pyridinyl)-5-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one
SMILESO=C1c2ccc(-c3cnc4ccc(-c5cn[nH]c5)cn34)cc2CN1c1ccc(Cl)cn1
InChIInChI=1S/C23H15ClN6O/c24-18-3-6-22(25-10-18)30-13-16-7-14(1-4-19(16)23(30)31)20-11-26-21-5-2-15(12-29(20)21)17-8-27-28-9-17/h1-12H,13H2,(H,27,28)
InChIKeyPLSZJXVUZHEQCR-UHFFFAOYSA-N
XLogP4.60
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.87
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-5-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-5-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one (CID 22032428) is 2-(5-chloro-2-pyridinyl)-5-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-5-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-5-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one is O=C1c2ccc(-c3cnc4ccc(-c5cn[nH]c5)cn34)cc2CN1c1ccc(Cl)cn1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-5-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one?
The InChIKey is PLSZJXVUZHEQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN6O/c24-18-3-6-22(25-10-18)30-13-16-7-14(1-4-19(16)23(30)31)20-11-26-21-5-2-15(12-29(20)21)17-8-27-28-9-17/h1-12H,13H2,(H,27,28).
What are the key properties of 2-(5-chloro-2-pyridinyl)-5-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one?
2-(5-chloro-2-pyridinyl)-5-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one has a molecular weight of 426.87 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-5-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one is sourced from PubChem (CID 22032428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).