N-[5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-[(1R)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-amine

C26H26F2N8 — CID 122666610

About N-[5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-[(1R)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-amine

N-[5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-[(1R)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-amine (PubChem CID 122666610) has the molecular formula C26H26F2N8 and a molecular weight of 488.55 g/mol. Its IUPAC name is N-[5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-[(1R)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-[(1R)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-amine
• PubChem CID: 122666610
• Molecular Formula: C26H26F2N8
• Molecular Weight: 488.55 g/mol
• Exact Mass: 488.22
• IUPAC Name: N-[5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-[(1R)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-amine
• SMILES: C[C@@H]1CCc2nc3c(F)cc(-c4nc(Nc5ccc(CN6CC7(CNC7)C6)cn5)ncc4F)cc3n21
• InChI: InChI=1S/C26H26F2N8/c1-15-2-5-22-33-24-18(27)6-17(7-20(24)36(15)22)23-19(28)9-31-25(34-23)32-21-4-3-16(8-30-21)10-35-13-26(14-35)11-29-12-26/h3-4,6-9,15,29H,2,5,10-14H2,1H3,(H,30,31,32,34)/t15-/m1/s1
• InChIKey: FHKAAXCJPNFSHF-OAHLLOKOSA-N
• XLogP: 3.82
• TPSA: 83.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.55
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-[(1R)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-amine?

The IUPAC name of N-[5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-[(1R)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-amine (CID 122666610) is N-[5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-[(1R)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-amine.

What is the SMILES notation for N-[5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-[(1R)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-amine?

The canonical SMILES for N-[5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-[(1R)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-amine is C[C@@H]1CCc2nc3c(F)cc(-c4nc(Nc5ccc(CN6CC7(CNC7)C6)cn5)ncc4F)cc3n21.

What is the InChIKey of N-[5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-[(1R)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-amine?

The InChIKey is FHKAAXCJPNFSHF-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H26F2N8/c1-15-2-5-22-33-24-18(27)6-17(7-20(24)36(15)22)23-19(28)9-31-25(34-23)32-21-4-3-16(8-30-21)10-35-13-26(14-35)11-29-12-26/h3-4,6-9,15,29H,2,5,10-14H2,1H3,(H,30,31,32,34)/t15-/m1/s1.

What are the key properties of N-[5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-[(1R)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-amine?

N-[5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-[(1R)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-amine has a molecular weight of 488.55 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-[(1R)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-amine is sourced from PubChem (CID 122666610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).