5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methyl-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyridin-2-amine

C29H33F2N7O — CID 163895535

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

5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methyl-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyridin-2-amine (PubChem CID 163895535) has the molecular formula C29H33F2N7O and a molecular weight of 533.63 g/mol. Its IUPAC name is 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methyl-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methyl-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyridin-2-amine
• PubChem CID: 163895535
• Molecular Formula: C29H33F2N7O
• Molecular Weight: 533.63 g/mol
• Exact Mass: 533.27
• IUPAC Name: 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methyl-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyridin-2-amine
• SMILES: Cc1nc2c(F)cc(-c3cc(N(C)c4ccc(N5CCN(C6COC6)CC5)cn4)ncc3F)cc2n1C(C)C
• InChI: InChI=1S/C29H33F2N7O/c1-18(2)38-19(3)34-29-24(30)11-20(12-26(29)38)23-13-28(33-15-25(23)31)35(4)27-6-5-21(14-32-27)36-7-9-37(10-8-36)22-16-39-17-22/h5-6,11-15,18,22H,7-10,16-17H2,1-4H3
• InChIKey: QFGKLQPDUQWAMF-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 62.55 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.63
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methyl-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyridin-2-amine (CID 163895535) is 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methyl-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyridin-2-amine.

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

The canonical SMILES for 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methyl-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyridin-2-amine is Cc1nc2c(F)cc(-c3cc(N(C)c4ccc(N5CCN(C6COC6)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-methyl-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyridin-2-amine?

The InChIKey is QFGKLQPDUQWAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F2N7O/c1-18(2)38-19(3)34-29-24(30)11-20(12-26(29)38)23-13-28(33-15-25(23)31)35(4)27-6-5-21(14-32-27)36-7-9-37(10-8-36)22-16-39-17-22/h5-6,11-15,18,22H,7-10,16-17H2,1-4H3.

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

5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methyl-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyridin-2-amine has a molecular weight of 533.63 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 8 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-methyl-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 163895535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).