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

C33H28N6O2 — CID 25144246

IUPACN-(1-pyridin-2-yloxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESCC(COc1ccccn1)NC(=O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1
InChIInChI=1S/C33H28N6O2/c1-22(21-41-30-6-2-3-15-35-30)38-31(40)24-9-7-23(8-10-24)26-18-36-32-37-19-29(39(32)20-26)33(13-14-33)27-11-12-28-25(17-27)5-4-16-34-28/h2-12,15-20,22H,13-14,21H2,1H3,(H,38,40)
InChIKeyNRDSLGIISUXPPP-UHFFFAOYSA-N
MW540.63 g/mol
LogP5.62
Rot. Bonds8

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

N-(1-pyridin-2-yloxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (PubChem CID 25144246) has the molecular formula C33H28N6O2 and a molecular weight of 540.63 g/mol. Its IUPAC name is N-(1-pyridin-2-yloxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound NameN-(1-pyridin-2-yloxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
PubChem CID25144246
Molecular FormulaC33H28N6O2
Molecular Weight540.63 g/mol
Exact Mass540.23
IUPAC NameN-(1-pyridin-2-yloxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESCC(COc1ccccn1)NC(=O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1
InChIInChI=1S/C33H28N6O2/c1-22(21-41-30-6-2-3-15-35-30)38-31(40)24-9-7-23(8-10-24)26-18-36-32-37-19-29(39(32)20-26)33(13-14-33)27-11-12-28-25(17-27)5-4-16-34-28/h2-12,15-20,22H,13-14,21H2,1H3,(H,38,40)
InChIKeyNRDSLGIISUXPPP-UHFFFAOYSA-N
XLogP5.62
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.63
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-yloxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The IUPAC name of N-(1-pyridin-2-yloxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (CID 25144246) is N-(1-pyridin-2-yloxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.
What is the SMILES notation for N-(1-pyridin-2-yloxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The canonical SMILES for N-(1-pyridin-2-yloxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is CC(COc1ccccn1)NC(=O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1.
What is the InChIKey of N-(1-pyridin-2-yloxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The InChIKey is NRDSLGIISUXPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N6O2/c1-22(21-41-30-6-2-3-15-35-30)38-31(40)24-9-7-23(8-10-24)26-18-36-32-37-19-29(39(32)20-26)33(13-14-33)27-11-12-28-25(17-27)5-4-16-34-28/h2-12,15-20,22H,13-14,21H2,1H3,(H,38,40).
What are the key properties of N-(1-pyridin-2-yloxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
N-(1-pyridin-2-yloxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide has a molecular weight of 540.63 g/mol, XLogP of 5.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-yloxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is sourced from PubChem (CID 25144246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).