5-cyclopropyl-1-[[(2S)-2-hydroxycyclobutyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one

C29H31N5O4 — CID 167558794

About 5-cyclopropyl-1-[[(2S)-2-hydroxycyclobutyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one

5-cyclopropyl-1-[[(2S)-2-hydroxycyclobutyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one (PubChem CID 167558794) has the molecular formula C29H31N5O4 and a molecular weight of 513.60 g/mol. Its IUPAC name is 5-cyclopropyl-1-[[(2S)-2-hydroxycyclobutyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one.

Molecular Properties

• Compound Name: 5-cyclopropyl-1-[[(2S)-2-hydroxycyclobutyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one
• PubChem CID: 167558794
• Molecular Formula: C29H31N5O4
• Molecular Weight: 513.60 g/mol
• Exact Mass: 513.24
• IUPAC Name: 5-cyclopropyl-1-[[(2S)-2-hydroxycyclobutyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one
• SMILES: CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C5CC5)cn(CC5CC[C@@H]5O)c4=O)n(C)c3c2)ccn1
• InChI: InChI=1S/C29H31N5O4/c1-17(35)11-21-13-23(9-10-30-21)38-22-6-7-24-26(14-22)33(2)29(31-24)32-25-12-20(18-3-4-18)16-34(28(25)37)15-19-5-8-27(19)36/h6-7,9-10,12-14,16,18-19,27,36H,3-5,8,11,15H2,1-2H3,(H,31,32)/t19?,27-/m0/s1
• InChIKey: UOXXSTUKEJGFNW-NZVRHLSZSA-N
• XLogP: 4.45
• TPSA: 111.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.60
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[[(2S)-2-hydroxycyclobutyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one?

The IUPAC name of 5-cyclopropyl-1-[[(2S)-2-hydroxycyclobutyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one (CID 167558794) is 5-cyclopropyl-1-[[(2S)-2-hydroxycyclobutyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one.

What is the SMILES notation for 5-cyclopropyl-1-[[(2S)-2-hydroxycyclobutyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one?

The canonical SMILES for 5-cyclopropyl-1-[[(2S)-2-hydroxycyclobutyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one is CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C5CC5)cn(CC5CC[C@@H]5O)c4=O)n(C)c3c2)ccn1.

What is the InChIKey of 5-cyclopropyl-1-[[(2S)-2-hydroxycyclobutyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one?

The InChIKey is UOXXSTUKEJGFNW-NZVRHLSZSA-N. The full InChI is InChI=1S/C29H31N5O4/c1-17(35)11-21-13-23(9-10-30-21)38-22-6-7-24-26(14-22)33(2)29(31-24)32-25-12-20(18-3-4-18)16-34(28(25)37)15-19-5-8-27(19)36/h6-7,9-10,12-14,16,18-19,27,36H,3-5,8,11,15H2,1-2H3,(H,31,32)/t19?,27-/m0/s1.

What are the key properties of 5-cyclopropyl-1-[[(2S)-2-hydroxycyclobutyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one?

5-cyclopropyl-1-[[(2S)-2-hydroxycyclobutyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one has a molecular weight of 513.60 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-1-[[(2S)-2-hydroxycyclobutyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one is sourced from PubChem (CID 167558794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).