2-(1H-indazol-5-yl)-3-phenylimidazo[1,2-a]pyrimidine

C19H13N5 — CID 25164883

IUPAC2-(1H-indazol-5-yl)-3-phenylimidazo[1,2-a]pyrimidine
SMILESc1ccc(-c2c(-c3ccc4[nH]ncc4c3)nc3ncccn23)cc1
InChIInChI=1S/C19H13N5/c1-2-5-13(6-3-1)18-17(22-19-20-9-4-10-24(18)19)14-7-8-16-15(11-14)12-21-23-16/h1-12H,(H,21,23)
InChIKeyKSDORXSBAJOQKH-UHFFFAOYSA-N
MW311.35 g/mol
LogP3.94
Rot. Bonds2

About 2-(1H-indazol-5-yl)-3-phenylimidazo[1,2-a]pyrimidine

2-(1H-indazol-5-yl)-3-phenylimidazo[1,2-a]pyrimidine (PubChem CID 25164883) has the molecular formula C19H13N5 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-(1H-indazol-5-yl)-3-phenylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(1H-indazol-5-yl)-3-phenylimidazo[1,2-a]pyrimidine
PubChem CID25164883
Molecular FormulaC19H13N5
Molecular Weight311.35 g/mol
Exact Mass311.12
IUPAC Name2-(1H-indazol-5-yl)-3-phenylimidazo[1,2-a]pyrimidine
SMILESc1ccc(-c2c(-c3ccc4[nH]ncc4c3)nc3ncccn23)cc1
InChIInChI=1S/C19H13N5/c1-2-5-13(6-3-1)18-17(22-19-20-9-4-10-24(18)19)14-7-8-16-15(11-14)12-21-23-16/h1-12H,(H,21,23)
InChIKeyKSDORXSBAJOQKH-UHFFFAOYSA-N
XLogP3.94
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-yl)-3-phenylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(1H-indazol-5-yl)-3-phenylimidazo[1,2-a]pyrimidine (CID 25164883) is 2-(1H-indazol-5-yl)-3-phenylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(1H-indazol-5-yl)-3-phenylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(1H-indazol-5-yl)-3-phenylimidazo[1,2-a]pyrimidine is c1ccc(-c2c(-c3ccc4[nH]ncc4c3)nc3ncccn23)cc1.
What is the InChIKey of 2-(1H-indazol-5-yl)-3-phenylimidazo[1,2-a]pyrimidine?
The InChIKey is KSDORXSBAJOQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5/c1-2-5-13(6-3-1)18-17(22-19-20-9-4-10-24(18)19)14-7-8-16-15(11-14)12-21-23-16/h1-12H,(H,21,23).
What are the key properties of 2-(1H-indazol-5-yl)-3-phenylimidazo[1,2-a]pyrimidine?
2-(1H-indazol-5-yl)-3-phenylimidazo[1,2-a]pyrimidine has a molecular weight of 311.35 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-yl)-3-phenylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 25164883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).