5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrimidin-2-amine

C29H35F2N7 — CID 166840951

About 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrimidin-2-amine

5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 166840951) has the molecular formula C29H35F2N7 and a molecular weight of 519.64 g/mol. Its IUPAC name is 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrimidin-2-amine
• PubChem CID: 166840951
• Molecular Formula: C29H35F2N7
• Molecular Weight: 519.64 g/mol
• Exact Mass: 519.29
• IUPAC Name: 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrimidin-2-amine
• SMILES: Cc1nc2c(F)cc(-c3nc(Nc4ccc(CC5CCN(C(C)C)CC5)cn4)ncc3F)cc2n1C(C)C
• InChI: InChI=1S/C29H35F2N7/c1-17(2)37-10-8-20(9-11-37)12-21-6-7-26(32-15-21)35-29-33-16-24(31)27(36-29)22-13-23(30)28-25(14-22)38(18(3)4)19(5)34-28/h6-7,13-18,20H,8-12H2,1-5H3,(H,32,33,35,36)
• InChIKey: CLVXBBQOFUKIQQ-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.64
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrimidin-2-amine?

The IUPAC name of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrimidin-2-amine (CID 166840951) is 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrimidin-2-amine.

What is the SMILES notation for 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrimidin-2-amine?

The canonical SMILES for 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrimidin-2-amine is Cc1nc2c(F)cc(-c3nc(Nc4ccc(CC5CCN(C(C)C)CC5)cn4)ncc3F)cc2n1C(C)C.

What is the InChIKey of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrimidin-2-amine?

The InChIKey is CLVXBBQOFUKIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F2N7/c1-17(2)37-10-8-20(9-11-37)12-21-6-7-26(32-15-21)35-29-33-16-24(31)27(36-29)22-13-23(30)28-25(14-22)38(18(3)4)19(5)34-28/h6-7,13-18,20H,8-12H2,1-5H3,(H,32,33,35,36).

What are the key properties of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrimidin-2-amine?

5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 519.64 g/mol, XLogP of 6.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 166840951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).