N-[5-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine

C26H29FN8 — CID 162533248

About N-[5-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine

N-[5-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine (PubChem CID 162533248) has the molecular formula C26H29FN8 and a molecular weight of 472.57 g/mol. Its IUPAC name is N-[5-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[5-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
• PubChem CID: 162533248
• Molecular Formula: C26H29FN8
• Molecular Weight: 472.57 g/mol
• Exact Mass: 472.25
• IUPAC Name: N-[5-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
• SMILES: Cc1nc2ccc(-c3nc(Nc4ccc(N5CCNC6(CC6)C5)cn4)ncc3F)cc2n1C(C)C
• InChI: InChI=1S/C26H29FN8/c1-16(2)35-17(3)31-21-6-4-18(12-22(21)35)24-20(27)14-29-25(33-24)32-23-7-5-19(13-28-23)34-11-10-30-26(15-34)8-9-26/h4-7,12-14,16,30H,8-11,15H2,1-3H3,(H,28,29,32,33)
• InChIKey: QVVYBDSAZNAZMB-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 83.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.57
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine?

The IUPAC name of N-[5-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine (CID 162533248) is N-[5-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine.

What is the SMILES notation for N-[5-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine?

The canonical SMILES for N-[5-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine is Cc1nc2ccc(-c3nc(Nc4ccc(N5CCNC6(CC6)C5)cn4)ncc3F)cc2n1C(C)C.

What is the InChIKey of N-[5-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine?

The InChIKey is QVVYBDSAZNAZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN8/c1-16(2)35-17(3)31-21-6-4-18(12-22(21)35)24-20(27)14-29-25(33-24)32-23-7-5-19(13-28-23)34-11-10-30-26(15-34)8-9-26/h4-7,12-14,16,30H,8-11,15H2,1-3H3,(H,28,29,32,33).

What are the key properties of N-[5-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine?

N-[5-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine has a molecular weight of 472.57 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 162533248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).