[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone

C26H29F2N7O — CID 145006855

About [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone

[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 145006855) has the molecular formula C26H29F2N7O and a molecular weight of 493.56 g/mol. Its IUPAC name is [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
• PubChem CID: 145006855
• Molecular Formula: C26H29F2N7O
• Molecular Weight: 493.56 g/mol
• Exact Mass: 493.24
• IUPAC Name: [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
• SMILES: CC(C)N1c2cc(-c3nc(Nc4ccc(C(=O)N5CCCCC5)cn4)ncc3F)cc(F)c2NC1C
• InChI: InChI=1S/C26H29F2N7O/c1-15(2)35-16(3)31-24-19(27)11-18(12-21(24)35)23-20(28)14-30-26(33-23)32-22-8-7-17(13-29-22)25(36)34-9-5-4-6-10-34/h7-8,11-16,31H,4-6,9-10H2,1-3H3,(H,29,30,32,33)
• InChIKey: ORVVUZSOYZJAOH-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 86.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.56
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?

The IUPAC name of [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 145006855) is [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone.

What is the SMILES notation for [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?

The canonical SMILES for [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone is CC(C)N1c2cc(-c3nc(Nc4ccc(C(=O)N5CCCCC5)cn4)ncc3F)cc(F)c2NC1C.

What is the InChIKey of [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?

The InChIKey is ORVVUZSOYZJAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N7O/c1-15(2)35-16(3)31-24-19(27)11-18(12-21(24)35)23-20(28)14-30-26(33-23)32-22-8-7-17(13-29-22)25(36)34-9-5-4-6-10-34/h7-8,11-16,31H,4-6,9-10H2,1-3H3,(H,29,30,32,33).

What are the key properties of [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?

[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 493.56 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 145006855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).