5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2H-isoindol-1-ol

C26H19N5O — CID 123432633

IUPAC5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2H-isoindol-1-ol
SMILESOc1[nH]cc2cc(-c3ccc(Nc4ccc(-c5cccnc5)cc4)c4nccn34)ccc12
InChIInChI=1S/C26H19N5O/c32-26-22-8-5-18(14-20(22)16-29-26)24-10-9-23(25-28-12-13-31(24)25)30-21-6-3-17(4-7-21)19-2-1-11-27-15-19/h1-16,29-30,32H
InChIKeyJWFZJCCIIACOFT-UHFFFAOYSA-N
MW417.47 g/mol
LogP5.99
Rot. Bonds4

About 5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2H-isoindol-1-ol

5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2H-isoindol-1-ol (PubChem CID 123432633) has the molecular formula C26H19N5O and a molecular weight of 417.47 g/mol. Its IUPAC name is 5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2H-isoindol-1-ol.

Molecular Properties

Compound Name5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2H-isoindol-1-ol
PubChem CID123432633
Molecular FormulaC26H19N5O
Molecular Weight417.47 g/mol
Exact Mass417.16
IUPAC Name5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2H-isoindol-1-ol
SMILESOc1[nH]cc2cc(-c3ccc(Nc4ccc(-c5cccnc5)cc4)c4nccn34)ccc12
InChIInChI=1S/C26H19N5O/c32-26-22-8-5-18(14-20(22)16-29-26)24-10-9-23(25-28-12-13-31(24)25)30-21-6-3-17(4-7-21)19-2-1-11-27-15-19/h1-16,29-30,32H
InChIKeyJWFZJCCIIACOFT-UHFFFAOYSA-N
XLogP5.99
TPSA78.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.47
LogP ≤ 55.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2H-isoindol-1-ol?
The IUPAC name of 5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2H-isoindol-1-ol (CID 123432633) is 5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2H-isoindol-1-ol.
What is the SMILES notation for 5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2H-isoindol-1-ol?
The canonical SMILES for 5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2H-isoindol-1-ol is Oc1[nH]cc2cc(-c3ccc(Nc4ccc(-c5cccnc5)cc4)c4nccn34)ccc12.
What is the InChIKey of 5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2H-isoindol-1-ol?
The InChIKey is JWFZJCCIIACOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O/c32-26-22-8-5-18(14-20(22)16-29-26)24-10-9-23(25-28-12-13-31(24)25)30-21-6-3-17(4-7-21)19-2-1-11-27-15-19/h1-16,29-30,32H.
What are the key properties of 5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2H-isoindol-1-ol?
5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2H-isoindol-1-ol has a molecular weight of 417.47 g/mol, XLogP of 5.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2H-isoindol-1-ol is sourced from PubChem (CID 123432633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).