3-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-oxazolidin-2-one

C22H23N5O3 — CID 11441103

IUPAC3-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2CCc3c(-n4ccc(N5CCOC5=O)n4)cc(C)nc32)c(C)c1
InChIInChI=1S/C22H23N5O3/c1-14-12-16(29-3)4-5-18(14)25-8-6-17-19(13-15(2)23-21(17)25)27-9-7-20(24-27)26-10-11-30-22(26)28/h4-5,7,9,12-13H,6,8,10-11H2,1-3H3
InChIKeySFKZTYNZQNLGDJ-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.54
Rot. Bonds4

About 3-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-oxazolidin-2-one

3-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-oxazolidin-2-one (PubChem CID 11441103) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 3-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-oxazolidin-2-one
PubChem CID11441103
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name3-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2CCc3c(-n4ccc(N5CCOC5=O)n4)cc(C)nc32)c(C)c1
InChIInChI=1S/C22H23N5O3/c1-14-12-16(29-3)4-5-18(14)25-8-6-17-19(13-15(2)23-21(17)25)27-9-7-20(24-27)26-10-11-30-22(26)28/h4-5,7,9,12-13H,6,8,10-11H2,1-3H3
InChIKeySFKZTYNZQNLGDJ-UHFFFAOYSA-N
XLogP3.54
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-oxazolidin-2-one (CID 11441103) is 3-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-oxazolidin-2-one is COc1ccc(N2CCc3c(-n4ccc(N5CCOC5=O)n4)cc(C)nc32)c(C)c1.
What is the InChIKey of 3-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is SFKZTYNZQNLGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-14-12-16(29-3)4-5-18(14)25-8-6-17-19(13-15(2)23-21(17)25)27-9-7-20(24-27)26-10-11-30-22(26)28/h4-5,7,9,12-13H,6,8,10-11H2,1-3H3.
What are the key properties of 3-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-oxazolidin-2-one?
3-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 405.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11441103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).