4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide

C25H26N6O4 — CID 59176891

IUPAC4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide
SMILESCOc1cccn2c(-c3ccnc(Nc4ccc(C(=O)NOC5CCCCO5)cc4)n3)c(C)nc12
InChIInChI=1S/C25H26N6O4/c1-16-22(31-14-5-6-20(33-2)23(31)27-16)19-12-13-26-25(29-19)28-18-10-8-17(9-11-18)24(32)30-35-21-7-3-4-15-34-21/h5-6,8-14,21H,3-4,7,15H2,1-2H3,(H,30,32)(H,26,28,29)
InChIKeyYCILCSKQCPLGMG-UHFFFAOYSA-N
MW474.52 g/mol
LogP4.04
Rot. Bonds7

About 4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide

4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide (PubChem CID 59176891) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is 4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide.

Molecular Properties

Compound Name4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide
PubChem CID59176891
Molecular FormulaC25H26N6O4
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Name4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide
SMILESCOc1cccn2c(-c3ccnc(Nc4ccc(C(=O)NOC5CCCCO5)cc4)n3)c(C)nc12
InChIInChI=1S/C25H26N6O4/c1-16-22(31-14-5-6-20(33-2)23(31)27-16)19-12-13-26-25(29-19)28-18-10-8-17(9-11-18)24(32)30-35-21-7-3-4-15-34-21/h5-6,8-14,21H,3-4,7,15H2,1-2H3,(H,30,32)(H,26,28,29)
InChIKeyYCILCSKQCPLGMG-UHFFFAOYSA-N
XLogP4.04
TPSA111.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)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 4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide?
The IUPAC name of 4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide (CID 59176891) is 4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide.
What is the SMILES notation for 4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide?
The canonical SMILES for 4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide is COc1cccn2c(-c3ccnc(Nc4ccc(C(=O)NOC5CCCCO5)cc4)n3)c(C)nc12.
What is the InChIKey of 4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide?
The InChIKey is YCILCSKQCPLGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-16-22(31-14-5-6-20(33-2)23(31)27-16)19-12-13-26-25(29-19)28-18-10-8-17(9-11-18)24(32)30-35-21-7-3-4-15-34-21/h5-6,8-14,21H,3-4,7,15H2,1-2H3,(H,30,32)(H,26,28,29).
What are the key properties of 4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide?
4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide has a molecular weight of 474.52 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide is sourced from PubChem (CID 59176891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).