5-[1-[(4,4-difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)indol-3-yl]pyridin-2-amine

C25H26F2N4O — CID 135295005

About 5-[1-[(4,4-difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)indol-3-yl]pyridin-2-amine

5-[1-[(4,4-difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)indol-3-yl]pyridin-2-amine (PubChem CID 135295005) has the molecular formula C25H26F2N4O and a molecular weight of 436.51 g/mol. Its IUPAC name is 5-[1-[(4,4-difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)indol-3-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[1-[(4,4-difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)indol-3-yl]pyridin-2-amine
• PubChem CID: 135295005
• Molecular Formula: C25H26F2N4O
• Molecular Weight: 436.51 g/mol
• Exact Mass: 436.21
• IUPAC Name: 5-[1-[(4,4-difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)indol-3-yl]pyridin-2-amine
• SMILES: Cc1noc(C)c1-c1ccc2c(-c3ccc(N)nc3)cn(CC3CCC(F)(F)CC3)c2c1
• InChI: InChI=1S/C25H26F2N4O/c1-15-24(16(2)32-30-15)18-3-5-20-21(19-4-6-23(28)29-12-19)14-31(22(20)11-18)13-17-7-9-25(26,27)10-8-17/h3-6,11-12,14,17H,7-10,13H2,1-2H3,(H2,28,29)
• InChIKey: RVGNZWCOMJYQKN-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 69.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.51
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4,4-difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)indol-3-yl]pyridin-2-amine?

The IUPAC name of 5-[1-[(4,4-difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)indol-3-yl]pyridin-2-amine (CID 135295005) is 5-[1-[(4,4-difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)indol-3-yl]pyridin-2-amine.

What is the SMILES notation for 5-[1-[(4,4-difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)indol-3-yl]pyridin-2-amine?

The canonical SMILES for 5-[1-[(4,4-difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)indol-3-yl]pyridin-2-amine is Cc1noc(C)c1-c1ccc2c(-c3ccc(N)nc3)cn(CC3CCC(F)(F)CC3)c2c1.

What is the InChIKey of 5-[1-[(4,4-difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)indol-3-yl]pyridin-2-amine?

The InChIKey is RVGNZWCOMJYQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O/c1-15-24(16(2)32-30-15)18-3-5-20-21(19-4-6-23(28)29-12-19)14-31(22(20)11-18)13-17-7-9-25(26,27)10-8-17/h3-6,11-12,14,17H,7-10,13H2,1-2H3,(H2,28,29).

What are the key properties of 5-[1-[(4,4-difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)indol-3-yl]pyridin-2-amine?

5-[1-[(4,4-difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)indol-3-yl]pyridin-2-amine has a molecular weight of 436.51 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(4,4-difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)indol-3-yl]pyridin-2-amine is sourced from PubChem (CID 135295005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).