5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrimidin-2-amine

C25H25F2N7 — CID 118860128

About 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrimidin-2-amine

5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 118860128) has the molecular formula C25H25F2N7 and a molecular weight of 461.52 g/mol. Its IUPAC name is 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrimidin-2-amine
• PubChem CID: 118860128
• Molecular Formula: C25H25F2N7
• Molecular Weight: 461.52 g/mol
• Exact Mass: 461.21
• IUPAC Name: 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrimidin-2-amine
• SMILES: Cc1nc2c(F)cc(-c3nc(Nc4ccc(C5=CCNCC5)cn4)ncc3F)cc2n1C(C)C
• InChI: InChI=1S/C25H25F2N7/c1-14(2)34-15(3)31-24-19(26)10-18(11-21(24)34)23-20(27)13-30-25(33-23)32-22-5-4-17(12-29-22)16-6-8-28-9-7-16/h4-6,10-14,28H,7-9H2,1-3H3,(H,29,30,32,33)
• InChIKey: BDIVVBQBABJRGT-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 80.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.52
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	2
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-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrimidin-2-amine?

The IUPAC name of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrimidin-2-amine (CID 118860128) is 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-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-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrimidin-2-amine?

The canonical SMILES for 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrimidin-2-amine is Cc1nc2c(F)cc(-c3nc(Nc4ccc(C5=CCNCC5)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-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrimidin-2-amine?

The InChIKey is BDIVVBQBABJRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N7/c1-14(2)34-15(3)31-24-19(26)10-18(11-21(24)34)23-20(27)13-30-25(33-23)32-22-5-4-17(12-29-22)16-6-8-28-9-7-16/h4-6,10-14,28H,7-9H2,1-3H3,(H,29,30,32,33).

What are the key properties of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrimidin-2-amine?

5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 461.52 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 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-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 118860128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).