2-[2-methyl-3-(1-pyrimidin-4-ylethylamino)quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C22H21N7O — CID 78161662

IUPAC2-[2-methyl-3-(1-pyrimidin-4-ylethylamino)quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(C)c1ccncn1
InChIInChI=1S/C22H21N7O/c1-12(16-6-8-23-11-25-16)27-21-13(2)26-18-5-3-4-14(20(18)29-21)19-10-15-17(28-19)7-9-24-22(15)30/h3-6,8,10-12,28H,7,9H2,1-2H3,(H,24,30)(H,27,29)
InChIKeyBPRSGQHMNJDRQL-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.18
Rot. Bonds4

About 2-[2-methyl-3-(1-pyrimidin-4-ylethylamino)quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-[2-methyl-3-(1-pyrimidin-4-ylethylamino)quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 78161662) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 2-[2-methyl-3-(1-pyrimidin-4-ylethylamino)quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-methyl-3-(1-pyrimidin-4-ylethylamino)quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID78161662
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name2-[2-methyl-3-(1-pyrimidin-4-ylethylamino)quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(C)c1ccncn1
InChIInChI=1S/C22H21N7O/c1-12(16-6-8-23-11-25-16)27-21-13(2)26-18-5-3-4-14(20(18)29-21)19-10-15-17(28-19)7-9-24-22(15)30/h3-6,8,10-12,28H,7,9H2,1-2H3,(H,24,30)(H,27,29)
InChIKeyBPRSGQHMNJDRQL-UHFFFAOYSA-N
XLogP3.18
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-methyl-3-(1-pyrimidin-4-ylethylamino)quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-(1-pyrimidin-4-ylethylamino)quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[2-methyl-3-(1-pyrimidin-4-ylethylamino)quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 78161662) is 2-[2-methyl-3-(1-pyrimidin-4-ylethylamino)quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[2-methyl-3-(1-pyrimidin-4-ylethylamino)quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[2-methyl-3-(1-pyrimidin-4-ylethylamino)quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(C)c1ccncn1.
What is the InChIKey of 2-[2-methyl-3-(1-pyrimidin-4-ylethylamino)quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is BPRSGQHMNJDRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-12(16-6-8-23-11-25-16)27-21-13(2)26-18-5-3-4-14(20(18)29-21)19-10-15-17(28-19)7-9-24-22(15)30/h3-6,8,10-12,28H,7,9H2,1-2H3,(H,24,30)(H,27,29).
What are the key properties of 2-[2-methyl-3-(1-pyrimidin-4-ylethylamino)quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[2-methyl-3-(1-pyrimidin-4-ylethylamino)quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 399.46 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-(1-pyrimidin-4-ylethylamino)quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 78161662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).