5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one

C27H28N6O4 — CID 167599263

About 5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one

5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one (PubChem CID 167599263) has the molecular formula C27H28N6O4 and a molecular weight of 500.56 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one.

Molecular Properties

• Compound Name: 5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one
• PubChem CID: 167599263
• Molecular Formula: C27H28N6O4
• Molecular Weight: 500.56 g/mol
• Exact Mass: 500.22
• IUPAC Name: 5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one
• SMILES: COc1c(Oc2ccnc(CC(=O)C3CC3)c2)cnc2nc(Nc3cc(C4CC4)cn(C)c3=O)n(C)c12
• InChI: InChI=1S/C27H28N6O4/c1-32-14-17(15-4-5-15)10-20(26(32)35)30-27-31-25-23(33(27)2)24(36-3)22(13-29-25)37-19-8-9-28-18(11-19)12-21(34)16-6-7-16/h8-11,13-16H,4-7,12H2,1-3H3,(H,29,30,31)
• InChIKey: BVKLVDZISQSTQD-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 113.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.56
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one?

The IUPAC name of 5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one (CID 167599263) is 5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one.

What is the SMILES notation for 5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one?

The canonical SMILES for 5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one is COc1c(Oc2ccnc(CC(=O)C3CC3)c2)cnc2nc(Nc3cc(C4CC4)cn(C)c3=O)n(C)c12.

What is the InChIKey of 5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one?

The InChIKey is BVKLVDZISQSTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O4/c1-32-14-17(15-4-5-15)10-20(26(32)35)30-27-31-25-23(33(27)2)24(36-3)22(13-29-25)37-19-8-9-28-18(11-19)12-21(34)16-6-7-16/h8-11,13-16H,4-7,12H2,1-3H3,(H,29,30,31).

What are the key properties of 5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one?

5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one has a molecular weight of 500.56 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one is sourced from PubChem (CID 167599263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).