N-(4-chlorophenyl)-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine

C19H13ClN6 — CID 25167278

IUPACN-(4-chlorophenyl)-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
SMILESClc1ccc(Nc2c(-c3ccc4[nH]ncc4c3)nc3ncccn23)cc1
InChIInChI=1S/C19H13ClN6/c20-14-3-5-15(6-4-14)23-18-17(24-19-21-8-1-9-26(18)19)12-2-7-16-13(10-12)11-22-25-16/h1-11,23H,(H,22,25)
InChIKeySENUIYRNLCTXDG-UHFFFAOYSA-N
MW360.81 g/mol
LogP4.67
Rot. Bonds3

About N-(4-chlorophenyl)-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine

N-(4-chlorophenyl)-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine (PubChem CID 25167278) has the molecular formula C19H13ClN6 and a molecular weight of 360.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
PubChem CID25167278
Molecular FormulaC19H13ClN6
Molecular Weight360.81 g/mol
Exact Mass360.09
IUPAC NameN-(4-chlorophenyl)-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
SMILESClc1ccc(Nc2c(-c3ccc4[nH]ncc4c3)nc3ncccn23)cc1
InChIInChI=1S/C19H13ClN6/c20-14-3-5-15(6-4-14)23-18-17(24-19-21-8-1-9-26(18)19)12-2-7-16-13(10-12)11-22-25-16/h1-11,23H,(H,22,25)
InChIKeySENUIYRNLCTXDG-UHFFFAOYSA-N
XLogP4.67
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.81
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of N-(4-chlorophenyl)-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine (CID 25167278) is N-(4-chlorophenyl)-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for N-(4-chlorophenyl)-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for N-(4-chlorophenyl)-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine is Clc1ccc(Nc2c(-c3ccc4[nH]ncc4c3)nc3ncccn23)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is SENUIYRNLCTXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN6/c20-14-3-5-15(6-4-14)23-18-17(24-19-21-8-1-9-26(18)19)12-2-7-16-13(10-12)11-22-25-16/h1-11,23H,(H,22,25).
What are the key properties of N-(4-chlorophenyl)-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine?
N-(4-chlorophenyl)-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 360.81 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 25167278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).