US10150767, Example 26

C20H20N4O3 — CID 137796682

IUPAC6-methyl-4-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]-3aH-pyrrolo[2,3-c]pyridin-7-one
SMILESCN1CCN(CC1=O)C(=O)C2=CC=C(C=C2)C3=CN(C(=O)C4=NC=CC34)C
InChIInChI=1S/C20H20N4O3/c1-22-9-10-24(12-17(22)25)19(26)14-5-3-13(4-6-14)16-11-23(2)20(27)18-15(16)7-8-21-18/h3-8,11,15H,9-10,12H2,1-2H3
InChIKeyOGWVLJPOOBXDBS-UHFFFAOYSA-N
MW364.40 g/mol
LogP-0.10
Rot. Bonds2

About US10150767, Example 26

US10150767, Example 26 (PubChem CID 137796682) has the molecular formula C20H20N4O3 and a molecular weight of 364.40 g/mol. Its IUPAC name is 6-methyl-4-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]-3aH-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound NameUS10150767, Example 26
PubChem CID137796682
Molecular FormulaC20H20N4O3
Molecular Weight364.40 g/mol
Exact Mass364.15
IUPAC Name6-methyl-4-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]-3aH-pyrrolo[2,3-c]pyridin-7-one
SMILESCN1CCN(CC1=O)C(=O)C2=CC=C(C=C2)C3=CN(C(=O)C4=NC=CC34)C
InChIInChI=1S/C20H20N4O3/c1-22-9-10-24(12-17(22)25)19(26)14-5-3-13(4-6-14)16-11-23(2)20(27)18-15(16)7-8-21-18/h3-8,11,15H,9-10,12H2,1-2H3
InChIKeyOGWVLJPOOBXDBS-UHFFFAOYSA-N
XLogP-0.10
TPSA73.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity761

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(4-Cyclopentylpiperazine-1-carbonyl)phenyl]-2-methylpyridazin-3-one
CID 44539765
2-Methyl-6-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyridazin-3-one
CID 44539766
6-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]phenyl]-2-methylpyridazin-3-one
CID 56661905
US10150767, Example 27
CID 137796661
US10150767, Example 28
CID 137796683
1-[4-(Biphenyl-4-carbonyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 1147868
4-[(4-Acetyl-piperazin-1-yl)-phenyl-methyl]-N,N-diethyl-benzamide
CID 10691980
US10150767, Example 29
CID 137796662
US10150767, Example 31
CID 137796663
US10150767, Example 32
CID 137796664
US10150767, Example 38
CID 137796667
US10150767, Example 3
CID 137796668

Frequently Asked Questions

What is the IUPAC name of US10150767, Example 26?
The IUPAC name of US10150767, Example 26 (CID 137796682) is 6-methyl-4-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]-3aH-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for US10150767, Example 26?
The canonical SMILES for US10150767, Example 26 is CN1CCN(CC1=O)C(=O)C2=CC=C(C=C2)C3=CN(C(=O)C4=NC=CC34)C.
What is the InChIKey of US10150767, Example 26?
The InChIKey is OGWVLJPOOBXDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-22-9-10-24(12-17(22)25)19(26)14-5-3-13(4-6-14)16-11-23(2)20(27)18-15(16)7-8-21-18/h3-8,11,15H,9-10,12H2,1-2H3.
What are the key properties of US10150767, Example 26?
US10150767, Example 26 has a molecular weight of 364.40 g/mol, XLogP of -0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for US10150767, Example 26 is sourced from PubChem (CID 137796682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).