1,2-diethyl-N,6-dimethylpiperidin-4-amine;6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde

C33H43F2N7O — CID 142300286

About 1,2-diethyl-N,6-dimethylpiperidin-4-amine;6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde

1,2-diethyl-N,6-dimethylpiperidin-4-amine;6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde (PubChem CID 142300286) has the molecular formula C33H43F2N7O and a molecular weight of 591.75 g/mol. Its IUPAC name is 1,2-diethyl-N,6-dimethylpiperidin-4-amine;6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 1,2-diethyl-N,6-dimethylpiperidin-4-amine;6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde
• PubChem CID: 142300286
• Molecular Formula: C33H43F2N7O
• Molecular Weight: 591.75 g/mol
• Exact Mass: 591.35
• IUPAC Name: 1,2-diethyl-N,6-dimethylpiperidin-4-amine;6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde
• SMILES: CCC1CC(NC)CC(C)N1CC.Cc1cc2c(F)cc(-c3nc(Nc4ccc(C=O)cn4)ncc3F)cc2n1C(C)C
• InChI: InChI=1S/C22H19F2N5O.C11H24N2/c1-12(2)29-13(3)6-16-17(23)7-15(8-19(16)29)21-18(24)10-26-22(28-21)27-20-5-4-14(11-30)9-25-20;1-5-11-8-10(12-4)7-9(3)13(11)6-2/h4-12H,1-3H3,(H,25,26,27,28);9-12H,5-8H2,1-4H3
• InChIKey: XDSRTLKFDBPPMW-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.75
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-N,6-dimethylpiperidin-4-amine;6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde?

The IUPAC name of 1,2-diethyl-N,6-dimethylpiperidin-4-amine;6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde (CID 142300286) is 1,2-diethyl-N,6-dimethylpiperidin-4-amine;6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde.

What is the SMILES notation for 1,2-diethyl-N,6-dimethylpiperidin-4-amine;6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde?

The canonical SMILES for 1,2-diethyl-N,6-dimethylpiperidin-4-amine;6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde is CCC1CC(NC)CC(C)N1CC.Cc1cc2c(F)cc(-c3nc(Nc4ccc(C=O)cn4)ncc3F)cc2n1C(C)C.

What is the InChIKey of 1,2-diethyl-N,6-dimethylpiperidin-4-amine;6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde?

The InChIKey is XDSRTLKFDBPPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O.C11H24N2/c1-12(2)29-13(3)6-16-17(23)7-15(8-19(16)29)21-18(24)10-26-22(28-21)27-20-5-4-14(11-30)9-25-20;1-5-11-8-10(12-4)7-9(3)13(11)6-2/h4-12H,1-3H3,(H,25,26,27,28);9-12H,5-8H2,1-4H3.

What are the key properties of 1,2-diethyl-N,6-dimethylpiperidin-4-amine;6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde?

1,2-diethyl-N,6-dimethylpiperidin-4-amine;6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde has a molecular weight of 591.75 g/mol, XLogP of 7.07, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-diethyl-N,6-dimethylpiperidin-4-amine;6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 142300286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).