2-imidazo[1,2-a]pyridin-6-yl-6-methoxyisoindol-1-ol

C16H13N3O2 — CID 90821459

IUPAC2-imidazo[1,2-a]pyridin-6-yl-6-methoxyisoindol-1-ol
SMILESCOc1ccc2cn(-c3ccc4nccn4c3)c(O)c2c1
InChIInChI=1S/C16H13N3O2/c1-21-13-4-2-11-9-19(16(20)14(11)8-13)12-3-5-15-17-6-7-18(15)10-12/h2-10,20H,1H3
InChIKeyGPCBDPZMXZOCPQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.99
Rot. Bonds2

About 2-imidazo[1,2-a]pyridin-6-yl-6-methoxyisoindol-1-ol

2-imidazo[1,2-a]pyridin-6-yl-6-methoxyisoindol-1-ol (PubChem CID 90821459) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-6-yl-6-methoxyisoindol-1-ol.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-6-yl-6-methoxyisoindol-1-ol
PubChem CID90821459
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-imidazo[1,2-a]pyridin-6-yl-6-methoxyisoindol-1-ol
SMILESCOc1ccc2cn(-c3ccc4nccn4c3)c(O)c2c1
InChIInChI=1S/C16H13N3O2/c1-21-13-4-2-11-9-19(16(20)14(11)8-13)12-3-5-15-17-6-7-18(15)10-12/h2-10,20H,1H3
InChIKeyGPCBDPZMXZOCPQ-UHFFFAOYSA-N
XLogP2.99
TPSA51.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyridin-6-yl-6-methoxyisoindol-1-ol?
The IUPAC name of 2-imidazo[1,2-a]pyridin-6-yl-6-methoxyisoindol-1-ol (CID 90821459) is 2-imidazo[1,2-a]pyridin-6-yl-6-methoxyisoindol-1-ol.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-6-yl-6-methoxyisoindol-1-ol?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-6-yl-6-methoxyisoindol-1-ol is COc1ccc2cn(-c3ccc4nccn4c3)c(O)c2c1.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-6-yl-6-methoxyisoindol-1-ol?
The InChIKey is GPCBDPZMXZOCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-21-13-4-2-11-9-19(16(20)14(11)8-13)12-3-5-15-17-6-7-18(15)10-12/h2-10,20H,1H3.
What are the key properties of 2-imidazo[1,2-a]pyridin-6-yl-6-methoxyisoindol-1-ol?
2-imidazo[1,2-a]pyridin-6-yl-6-methoxyisoindol-1-ol has a molecular weight of 279.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyridin-6-yl-6-methoxyisoindol-1-ol is sourced from PubChem (CID 90821459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).