6-azaspiro[2.5]octane;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine

C62H72Cl5F6N17O4 — CID 163914378

About 6-azaspiro[2.5]octane;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine

6-azaspiro[2.5]octane;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine (PubChem CID 163914378) has the molecular formula C62H72Cl5F6N17O4 and a molecular weight of 1410.63 g/mol. Its IUPAC name is 6-azaspiro[2.5]octane;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-azaspiro[2.5]octane;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine
• PubChem CID: 163914378
• Molecular Formula: C62H72Cl5F6N17O4
• Molecular Weight: 1410.63 g/mol
• Exact Mass: 1407.43
• IUPAC Name: 6-azaspiro[2.5]octane;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine
• SMILES: C1CC2(CCN1)CC2.Cc1cc(N)nc(N2CCC(F)(F)CC2)n1.Cc1cc(NC(=O)c2cnc(Cl)cc2Cl)nc(N2CCC(F)(F)CC2)n1.Cc1cc(NC(=O)c2cnc(Cl)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1.O=C(O)c1cnc(Cl)cc1Cl
• InChI: InChI=1S/C23H27ClF2N6O.C16H15Cl2F2N5O.C10H14F2N4.C7H13N.C6H3Cl2NO2/c1-15-12-19(30-21(28-15)32-10-6-23(25,26)7-11-32)29-20(33)16-14-27-18(24)13-17(16)31-8-4-22(2-3-22)5-9-31;1-9-6-13(23-14(26)10-8-21-12(18)7-11(10)17)24-15(22-9)25-4-2-16(19,20)3-5-25;1-7-6-8(13)15-9(14-7)16-4-2-10(11,12)3-5-16;1-2-7(1)3-5-8-6-4-7;7-4-1-5(8)9-2-3(4)6(10)11/h12-14H,2-11H2,1H3,(H,28,29,30,33);6-8H,2-5H2,1H3,(H,22,23,24,26);6H,2-5H2,1H3,(H2,13,14,15);8H,1-6H2;1-2H,(H,10,11)
• InChIKey: QUYKVYOKWCDYQT-UHFFFAOYSA-N
• XLogP: 13.52
• TPSA: 262.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1410.63
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[2.5]octane;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine?

The IUPAC name of 6-azaspiro[2.5]octane;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine (CID 163914378) is 6-azaspiro[2.5]octane;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine.

What is the SMILES notation for 6-azaspiro[2.5]octane;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine?

The canonical SMILES for 6-azaspiro[2.5]octane;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine is C1CC2(CCN1)CC2.Cc1cc(N)nc(N2CCC(F)(F)CC2)n1.Cc1cc(NC(=O)c2cnc(Cl)cc2Cl)nc(N2CCC(F)(F)CC2)n1.Cc1cc(NC(=O)c2cnc(Cl)cc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1.O=C(O)c1cnc(Cl)cc1Cl.

What is the InChIKey of 6-azaspiro[2.5]octane;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine?

The InChIKey is QUYKVYOKWCDYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClF2N6O.C16H15Cl2F2N5O.C10H14F2N4.C7H13N.C6H3Cl2NO2/c1-15-12-19(30-21(28-15)32-10-6-23(25,26)7-11-32)29-20(33)16-14-27-18(24)13-17(16)31-8-4-22(2-3-22)5-9-31;1-9-6-13(23-14(26)10-8-21-12(18)7-11(10)17)24-15(22-9)25-4-2-16(19,20)3-5-25;1-7-6-8(13)15-9(14-7)16-4-2-10(11,12)3-5-16;1-2-7(1)3-5-8-6-4-7;7-4-1-5(8)9-2-3(4)6(10)11/h12-14H,2-11H2,1H3,(H,28,29,30,33);6-8H,2-5H2,1H3,(H,22,23,24,26);6H,2-5H2,1H3,(H2,13,14,15);8H,1-6H2;1-2H,(H,10,11).

What are the key properties of 6-azaspiro[2.5]octane;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine?

6-azaspiro[2.5]octane;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine has a molecular weight of 1410.63 g/mol, XLogP of 13.52, 9 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-azaspiro[2.5]octane;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 163914378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).