2-chloro-4-(3-isoquinolin-7-yloxyimidazo[1,2-a]pyrimidin-6-yl)-N-methylbenzamide

C23H16ClN5O2 — CID 155903282

IUPAC2-chloro-4-(3-isoquinolin-7-yloxyimidazo[1,2-a]pyrimidin-6-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cnc3ncc(Oc4ccc5ccncc5c4)n3c2)cc1Cl
InChIInChI=1S/C23H16ClN5O2/c1-25-22(30)19-5-3-15(9-20(19)24)17-11-27-23-28-12-21(29(23)13-17)31-18-4-2-14-6-7-26-10-16(14)8-18/h2-13H,1H3,(H,25,30)
InChIKeyUFBXVXNODWDJSQ-UHFFFAOYSA-N
MW429.87 g/mol
LogP4.75
Rot. Bonds4

About 2-chloro-4-(3-isoquinolin-7-yloxyimidazo[1,2-a]pyrimidin-6-yl)-N-methylbenzamide

2-chloro-4-(3-isoquinolin-7-yloxyimidazo[1,2-a]pyrimidin-6-yl)-N-methylbenzamide (PubChem CID 155903282) has the molecular formula C23H16ClN5O2 and a molecular weight of 429.87 g/mol. Its IUPAC name is 2-chloro-4-(3-isoquinolin-7-yloxyimidazo[1,2-a]pyrimidin-6-yl)-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-4-(3-isoquinolin-7-yloxyimidazo[1,2-a]pyrimidin-6-yl)-N-methylbenzamide
PubChem CID155903282
Molecular FormulaC23H16ClN5O2
Molecular Weight429.87 g/mol
Exact Mass429.10
IUPAC Name2-chloro-4-(3-isoquinolin-7-yloxyimidazo[1,2-a]pyrimidin-6-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cnc3ncc(Oc4ccc5ccncc5c4)n3c2)cc1Cl
InChIInChI=1S/C23H16ClN5O2/c1-25-22(30)19-5-3-15(9-20(19)24)17-11-27-23-28-12-21(29(23)13-17)31-18-4-2-14-6-7-26-10-16(14)8-18/h2-13H,1H3,(H,25,30)
InChIKeyUFBXVXNODWDJSQ-UHFFFAOYSA-N
XLogP4.75
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.87
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-isoquinolin-7-yloxyimidazo[1,2-a]pyrimidin-6-yl)-N-methylbenzamide?
The IUPAC name of 2-chloro-4-(3-isoquinolin-7-yloxyimidazo[1,2-a]pyrimidin-6-yl)-N-methylbenzamide (CID 155903282) is 2-chloro-4-(3-isoquinolin-7-yloxyimidazo[1,2-a]pyrimidin-6-yl)-N-methylbenzamide.
What is the SMILES notation for 2-chloro-4-(3-isoquinolin-7-yloxyimidazo[1,2-a]pyrimidin-6-yl)-N-methylbenzamide?
The canonical SMILES for 2-chloro-4-(3-isoquinolin-7-yloxyimidazo[1,2-a]pyrimidin-6-yl)-N-methylbenzamide is CNC(=O)c1ccc(-c2cnc3ncc(Oc4ccc5ccncc5c4)n3c2)cc1Cl.
What is the InChIKey of 2-chloro-4-(3-isoquinolin-7-yloxyimidazo[1,2-a]pyrimidin-6-yl)-N-methylbenzamide?
The InChIKey is UFBXVXNODWDJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O2/c1-25-22(30)19-5-3-15(9-20(19)24)17-11-27-23-28-12-21(29(23)13-17)31-18-4-2-14-6-7-26-10-16(14)8-18/h2-13H,1H3,(H,25,30).
What are the key properties of 2-chloro-4-(3-isoquinolin-7-yloxyimidazo[1,2-a]pyrimidin-6-yl)-N-methylbenzamide?
2-chloro-4-(3-isoquinolin-7-yloxyimidazo[1,2-a]pyrimidin-6-yl)-N-methylbenzamide has a molecular weight of 429.87 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-isoquinolin-7-yloxyimidazo[1,2-a]pyrimidin-6-yl)-N-methylbenzamide is sourced from PubChem (CID 155903282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).