1-methyl-4-[4-(6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-3-(3-phenoxyphenyl)imidazol-2-one

C30H24N4O2 — CID 158933491

IUPAC1-methyl-4-[4-(6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-3-(3-phenoxyphenyl)imidazol-2-one
SMILESCC1=Cc2cc(-c3ccnc(-c4cn(C)c(=O)n4-c4cccc(Oc5ccccc5)c4)c3)cnc2C1
InChIInChI=1S/C30H24N4O2/c1-20-13-22-15-23(18-32-27(22)14-20)21-11-12-31-28(16-21)29-19-33(2)30(35)34(29)24-7-6-10-26(17-24)36-25-8-4-3-5-9-25/h3-13,15-19H,14H2,1-2H3
InChIKeyJJIZASZKGGYZOO-UHFFFAOYSA-N
MW472.55 g/mol
LogP6.05
Rot. Bonds5

About 1-methyl-4-[4-(6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-3-(3-phenoxyphenyl)imidazol-2-one

1-methyl-4-[4-(6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-3-(3-phenoxyphenyl)imidazol-2-one (PubChem CID 158933491) has the molecular formula C30H24N4O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 1-methyl-4-[4-(6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-3-(3-phenoxyphenyl)imidazol-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-(6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-3-(3-phenoxyphenyl)imidazol-2-one
PubChem CID158933491
Molecular FormulaC30H24N4O2
Molecular Weight472.55 g/mol
Exact Mass472.19
IUPAC Name1-methyl-4-[4-(6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-3-(3-phenoxyphenyl)imidazol-2-one
SMILESCC1=Cc2cc(-c3ccnc(-c4cn(C)c(=O)n4-c4cccc(Oc5ccccc5)c4)c3)cnc2C1
InChIInChI=1S/C30H24N4O2/c1-20-13-22-15-23(18-32-27(22)14-20)21-11-12-31-28(16-21)29-19-33(2)30(35)34(29)24-7-6-10-26(17-24)36-25-8-4-3-5-9-25/h3-13,15-19H,14H2,1-2H3
InChIKeyJJIZASZKGGYZOO-UHFFFAOYSA-N
XLogP6.05
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-3-(3-phenoxyphenyl)imidazol-2-one?
The IUPAC name of 1-methyl-4-[4-(6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-3-(3-phenoxyphenyl)imidazol-2-one (CID 158933491) is 1-methyl-4-[4-(6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-3-(3-phenoxyphenyl)imidazol-2-one.
What is the SMILES notation for 1-methyl-4-[4-(6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-3-(3-phenoxyphenyl)imidazol-2-one?
The canonical SMILES for 1-methyl-4-[4-(6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-3-(3-phenoxyphenyl)imidazol-2-one is CC1=Cc2cc(-c3ccnc(-c4cn(C)c(=O)n4-c4cccc(Oc5ccccc5)c4)c3)cnc2C1.
What is the InChIKey of 1-methyl-4-[4-(6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-3-(3-phenoxyphenyl)imidazol-2-one?
The InChIKey is JJIZASZKGGYZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O2/c1-20-13-22-15-23(18-32-27(22)14-20)21-11-12-31-28(16-21)29-19-33(2)30(35)34(29)24-7-6-10-26(17-24)36-25-8-4-3-5-9-25/h3-13,15-19H,14H2,1-2H3.
What are the key properties of 1-methyl-4-[4-(6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-3-(3-phenoxyphenyl)imidazol-2-one?
1-methyl-4-[4-(6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-3-(3-phenoxyphenyl)imidazol-2-one has a molecular weight of 472.55 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-3-(3-phenoxyphenyl)imidazol-2-one is sourced from PubChem (CID 158933491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).