5-[7-[[5-[(3R,4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile

C25H23FN8O3 — CID 138560221

About 5-[7-[[5-[(3R,4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile

5-[7-[[5-[(3R,4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile (PubChem CID 138560221) has the molecular formula C25H23FN8O3 and a molecular weight of 502.51 g/mol. Its IUPAC name is 5-[7-[[5-[(3R,4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[7-[[5-[(3R,4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile
• PubChem CID: 138560221
• Molecular Formula: C25H23FN8O3
• Molecular Weight: 502.51 g/mol
• Exact Mass: 502.19
• IUPAC Name: 5-[7-[[5-[(3R,4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile
• SMILES: CO[C@@H]1CN(C(=O)c2ccc(Nc3cc(Oc4cnc(C#N)cc4C)nc4c3ncn4C)nc2)C[C@H]1F
• InChI: InChI=1S/C25H23FN8O3/c1-14-6-16(8-27)28-10-19(14)37-22-7-18(23-24(32-22)33(2)13-30-23)31-21-5-4-15(9-29-21)25(35)34-11-17(26)20(12-34)36-3/h4-7,9-10,13,17,20H,11-12H2,1-3H3,(H,29,31,32)/t17-,20-/m1/s1
• InChIKey: DQMXQSQUTUOUEP-YLJYHZDGSA-N
• XLogP: 3.28
• TPSA: 131.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.51
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[7-[[5-[(3R,4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile?

The IUPAC name of 5-[7-[[5-[(3R,4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile (CID 138560221) is 5-[7-[[5-[(3R,4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile.

What is the SMILES notation for 5-[7-[[5-[(3R,4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile?

The canonical SMILES for 5-[7-[[5-[(3R,4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile is CO[C@@H]1CN(C(=O)c2ccc(Nc3cc(Oc4cnc(C#N)cc4C)nc4c3ncn4C)nc2)C[C@H]1F.

What is the InChIKey of 5-[7-[[5-[(3R,4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile?

The InChIKey is DQMXQSQUTUOUEP-YLJYHZDGSA-N. The full InChI is InChI=1S/C25H23FN8O3/c1-14-6-16(8-27)28-10-19(14)37-22-7-18(23-24(32-22)33(2)13-30-23)31-21-5-4-15(9-29-21)25(35)34-11-17(26)20(12-34)36-3/h4-7,9-10,13,17,20H,11-12H2,1-3H3,(H,29,31,32)/t17-,20-/m1/s1.

What are the key properties of 5-[7-[[5-[(3R,4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile?

5-[7-[[5-[(3R,4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile has a molecular weight of 502.51 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-[[5-[(3R,4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile is sourced from PubChem (CID 138560221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).