N-(2-pyridin-2-yloxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide

C32H26N6O2 — CID 25144245

IUPACN-(2-pyridin-2-yloxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESO=C(NCCOc1ccccn1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1
InChIInChI=1S/C32H26N6O2/c39-30(35-16-17-40-29-5-1-2-14-34-29)23-8-6-22(7-9-23)25-19-36-31-37-20-28(38(31)21-25)32(12-13-32)26-10-11-27-24(18-26)4-3-15-33-27/h1-11,14-15,18-21H,12-13,16-17H2,(H,35,39)
InChIKeyLCWZRJLLUWURNZ-UHFFFAOYSA-N
MW526.60 g/mol
LogP5.23
Rot. Bonds8

About N-(2-pyridin-2-yloxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide

N-(2-pyridin-2-yloxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (PubChem CID 25144245) has the molecular formula C32H26N6O2 and a molecular weight of 526.60 g/mol. Its IUPAC name is N-(2-pyridin-2-yloxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound NameN-(2-pyridin-2-yloxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
PubChem CID25144245
Molecular FormulaC32H26N6O2
Molecular Weight526.60 g/mol
Exact Mass526.21
IUPAC NameN-(2-pyridin-2-yloxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESO=C(NCCOc1ccccn1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1
InChIInChI=1S/C32H26N6O2/c39-30(35-16-17-40-29-5-1-2-14-34-29)23-8-6-22(7-9-23)25-19-36-31-37-20-28(38(31)21-25)32(12-13-32)26-10-11-27-24(18-26)4-3-15-33-27/h1-11,14-15,18-21H,12-13,16-17H2,(H,35,39)
InChIKeyLCWZRJLLUWURNZ-UHFFFAOYSA-N
XLogP5.23
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-yloxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The IUPAC name of N-(2-pyridin-2-yloxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (CID 25144245) is N-(2-pyridin-2-yloxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.
What is the SMILES notation for N-(2-pyridin-2-yloxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The canonical SMILES for N-(2-pyridin-2-yloxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is O=C(NCCOc1ccccn1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1.
What is the InChIKey of N-(2-pyridin-2-yloxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The InChIKey is LCWZRJLLUWURNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N6O2/c39-30(35-16-17-40-29-5-1-2-14-34-29)23-8-6-22(7-9-23)25-19-36-31-37-20-28(38(31)21-25)32(12-13-32)26-10-11-27-24(18-26)4-3-15-33-27/h1-11,14-15,18-21H,12-13,16-17H2,(H,35,39).
What are the key properties of N-(2-pyridin-2-yloxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
N-(2-pyridin-2-yloxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide has a molecular weight of 526.60 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-yloxyethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is sourced from PubChem (CID 25144245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).