(4R)-4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one

C27H32FN9O2 — CID 155282174

About (4R)-4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one

(4R)-4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one (PubChem CID 155282174) has the molecular formula C27H32FN9O2 and a molecular weight of 533.61 g/mol. Its IUPAC name is (4R)-4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one
• PubChem CID: 155282174
• Molecular Formula: C27H32FN9O2
• Molecular Weight: 533.61 g/mol
• Exact Mass: 533.27
• IUPAC Name: (4R)-4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one
• SMILES: COc1nc(-c2nc(Nc3ccc(N4CC[C@@H](N(C)C)CC4=O)cn3)ncc2F)cc2c1nc(C)n2C(C)C
• InChI: InChI=1S/C27H32FN9O2/c1-15(2)37-16(3)31-25-21(37)12-20(32-26(25)39-6)24-19(28)14-30-27(34-24)33-22-8-7-18(13-29-22)36-10-9-17(35(4)5)11-23(36)38/h7-8,12-15,17H,9-11H2,1-6H3,(H,29,30,33,34)/t17-/m1/s1
• InChIKey: IJHWSOUFFXGLHJ-QGZVFWFLSA-N
• XLogP: 4.12
• TPSA: 114.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.61
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one?

The IUPAC name of (4R)-4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one (CID 155282174) is (4R)-4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one.

What is the SMILES notation for (4R)-4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one?

The canonical SMILES for (4R)-4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one is COc1nc(-c2nc(Nc3ccc(N4CC[C@@H](N(C)C)CC4=O)cn3)ncc2F)cc2c1nc(C)n2C(C)C.

What is the InChIKey of (4R)-4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one?

The InChIKey is IJHWSOUFFXGLHJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H32FN9O2/c1-15(2)37-16(3)31-25-21(37)12-20(32-26(25)39-6)24-19(28)14-30-27(34-24)33-22-8-7-18(13-29-22)36-10-9-17(35(4)5)11-23(36)38/h7-8,12-15,17H,9-11H2,1-6H3,(H,29,30,33,34)/t17-/m1/s1.

What are the key properties of (4R)-4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one?

(4R)-4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one has a molecular weight of 533.61 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one is sourced from PubChem (CID 155282174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).