4-[[4-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide

C25H26N6O4 — CID 59176862

IUPAC4-[[4-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide
SMILESCOc1ccc2nc(C)c(-c3ccnc(Nc4ccc(C(=O)NOC5CCCCO5)cc4)n3)n2c1
InChIInChI=1S/C25H26N6O4/c1-16-23(31-15-19(33-2)10-11-21(31)27-16)20-12-13-26-25(29-20)28-18-8-6-17(7-9-18)24(32)30-35-22-5-3-4-14-34-22/h6-13,15,22H,3-5,14H2,1-2H3,(H,30,32)(H,26,28,29)
InChIKeyKGGSIALBPLKZNS-UHFFFAOYSA-N
MW474.52 g/mol
LogP4.04
Rot. Bonds7

About 4-[[4-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide

4-[[4-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide (PubChem CID 59176862) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is 4-[[4-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide.

Molecular Properties

Compound Name4-[[4-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide
PubChem CID59176862
Molecular FormulaC25H26N6O4
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Name4-[[4-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide
SMILESCOc1ccc2nc(C)c(-c3ccnc(Nc4ccc(C(=O)NOC5CCCCO5)cc4)n3)n2c1
InChIInChI=1S/C25H26N6O4/c1-16-23(31-15-19(33-2)10-11-21(31)27-16)20-12-13-26-25(29-20)28-18-8-6-17(7-9-18)24(32)30-35-22-5-3-4-14-34-22/h6-13,15,22H,3-5,14H2,1-2H3,(H,30,32)(H,26,28,29)
InChIKeyKGGSIALBPLKZNS-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide?
The IUPAC name of 4-[[4-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide (CID 59176862) is 4-[[4-(6-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-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide?
The canonical SMILES for 4-[[4-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide is COc1ccc2nc(C)c(-c3ccnc(Nc4ccc(C(=O)NOC5CCCCO5)cc4)n3)n2c1.
What is the InChIKey of 4-[[4-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide?
The InChIKey is KGGSIALBPLKZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-16-23(31-15-19(33-2)10-11-21(31)27-16)20-12-13-26-25(29-20)28-18-8-6-17(7-9-18)24(32)30-35-22-5-3-4-14-34-22/h6-13,15,22H,3-5,14H2,1-2H3,(H,30,32)(H,26,28,29).
What are the key properties of 4-[[4-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide?
4-[[4-(6-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-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)benzamide is sourced from PubChem (CID 59176862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).