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

C33H27ClN6O2 — CID 59420977

IUPAC2-chloro-N-(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)cc1Cl
InChIInChI=1S/C33H27ClN6O2/c1-21(20-42-30-6-2-3-13-36-30)39-31(41)26-9-7-22(16-27(26)34)24-17-37-32-38-18-29(40(32)19-24)33(11-12-33)25-8-10-28-23(15-25)5-4-14-35-28/h2-10,13-19,21H,11-12,20H2,1H3,(H,39,41)
InChIKeyZXXQPWIEAJVARZ-UHFFFAOYSA-N
MW575.07 g/mol
LogP6.27
Rot. Bonds8

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

2-chloro-N-(1-pyridin-2-yloxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (PubChem CID 59420977) has the molecular formula C33H27ClN6O2 and a molecular weight of 575.07 g/mol. Its IUPAC name is 2-chloro-N-(1-pyridin-2-yloxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(1-pyridin-2-yloxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
PubChem CID59420977
Molecular FormulaC33H27ClN6O2
Molecular Weight575.07 g/mol
Exact Mass574.19
IUPAC Name2-chloro-N-(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)cc1Cl
InChIInChI=1S/C33H27ClN6O2/c1-21(20-42-30-6-2-3-13-36-30)39-31(41)26-9-7-22(16-27(26)34)24-17-37-32-38-18-29(40(32)19-24)33(11-12-33)25-8-10-28-23(15-25)5-4-14-35-28/h2-10,13-19,21H,11-12,20H2,1H3,(H,39,41)
InChIKeyZXXQPWIEAJVARZ-UHFFFAOYSA-N
XLogP6.27
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.07
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-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 2-chloro-N-(1-pyridin-2-yloxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (CID 59420977) is 2-chloro-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 2-chloro-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 2-chloro-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)cc1Cl.
What is the InChIKey of 2-chloro-N-(1-pyridin-2-yloxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The InChIKey is ZXXQPWIEAJVARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27ClN6O2/c1-21(20-42-30-6-2-3-13-36-30)39-31(41)26-9-7-22(16-27(26)34)24-17-37-32-38-18-29(40(32)19-24)33(11-12-33)25-8-10-28-23(15-25)5-4-14-35-28/h2-10,13-19,21H,11-12,20H2,1H3,(H,39,41).
What are the key properties of 2-chloro-N-(1-pyridin-2-yloxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
2-chloro-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 575.07 g/mol, XLogP of 6.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-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 59420977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).