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

IUPAC5-cyclopropyl-1-[[(2S)-2-hydroxycyclobutyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one
SMILESCC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C5CC5)cn(CC5CC[C@@H]5O)c4=O)n(C)c3c2)ccn1
InChIInChI=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
InChIKeyUOXXSTUKEJGFNW-NZVRHLSZSA-N
MW513.60 g/mol
LogP4.45
Rot. Bonds9

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 Name5-cyclopropyl-1-[[(2S)-2-hydroxycyclobutyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one
PubChem CID167558794
Molecular FormulaC29H31N5O4
Molecular Weight513.60 g/mol
Exact Mass513.24
IUPAC Name5-cyclopropyl-1-[[(2S)-2-hydroxycyclobutyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one
SMILESCC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C5CC5)cn(CC5CC[C@@H]5O)c4=O)n(C)c3c2)ccn1
InChIInChI=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
InChIKeyUOXXSTUKEJGFNW-NZVRHLSZSA-N
XLogP4.45
TPSA111.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.60
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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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).