2-[2-(5-bromo-2-propoxyphenyl)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C20H19BrN4O2 — CID 11743246

IUPAC2-[2-(5-bromo-2-propoxyphenyl)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCCCOc1ccc(Br)cc1-c1nccc(-c2cc3c([nH]2)CCNC3=O)n1
InChIInChI=1S/C20H19BrN4O2/c1-2-9-27-18-4-3-12(21)10-14(18)19-22-7-6-16(25-19)17-11-13-15(24-17)5-8-23-20(13)26/h3-4,6-7,10-11,24H,2,5,8-9H2,1H3,(H,23,26)
InChIKeyMBQPKGDJQZSWOF-UHFFFAOYSA-N
MW427.30 g/mol
LogP3.98
Rot. Bonds5

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

2-[2-(5-bromo-2-propoxyphenyl)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 11743246) has the molecular formula C20H19BrN4O2 and a molecular weight of 427.30 g/mol. Its IUPAC name is 2-[2-(5-bromo-2-propoxyphenyl)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-(5-bromo-2-propoxyphenyl)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID11743246
Molecular FormulaC20H19BrN4O2
Molecular Weight427.30 g/mol
Exact Mass426.07
IUPAC Name2-[2-(5-bromo-2-propoxyphenyl)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCCCOc1ccc(Br)cc1-c1nccc(-c2cc3c([nH]2)CCNC3=O)n1
InChIInChI=1S/C20H19BrN4O2/c1-2-9-27-18-4-3-12(21)10-14(18)19-22-7-6-16(25-19)17-11-13-15(24-17)5-8-23-20(13)26/h3-4,6-7,10-11,24H,2,5,8-9H2,1H3,(H,23,26)
InChIKeyMBQPKGDJQZSWOF-UHFFFAOYSA-N
XLogP3.98
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(5-bromo-2-propoxyphenyl)pyrimidin-4-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

Related Compounds

2-[2-[2,6-bis(2,2,2-trifluoroethoxy)phenyl]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 91124841
2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride
CID 11300081
[2-bromo-6-methoxy-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenyl] benzoate
CID 10075321
2-[2-(bromomethyl)-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 71521833
2-[2-[3-ethyl-5-(1H-indol-6-yl)phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 175617473
2-[6-(1-ethoxyethenyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163250015
N-[2-[2-(dimethylamino)ethoxy]-5-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenyl]prop-2-enamide;N-[1-methyl-4-[[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide
CID 144715078
2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride
CID 169445506
2-[2-[3-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 158207286
2-amino-4-(5-bromo-2-propoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850453
1-(5-bromo-2-propoxyphenyl)-3-chloropropan-1-one
CID 82051163
2-amino-4-(5-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405782

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-2-propoxyphenyl)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[2-(5-bromo-2-propoxyphenyl)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 11743246) is 2-[2-(5-bromo-2-propoxyphenyl)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[2-(5-bromo-2-propoxyphenyl)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[2-(5-bromo-2-propoxyphenyl)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is CCCOc1ccc(Br)cc1-c1nccc(-c2cc3c([nH]2)CCNC3=O)n1.
What is the InChIKey of 2-[2-(5-bromo-2-propoxyphenyl)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is MBQPKGDJQZSWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O2/c1-2-9-27-18-4-3-12(21)10-14(18)19-22-7-6-16(25-19)17-11-13-15(24-17)5-8-23-20(13)26/h3-4,6-7,10-11,24H,2,5,8-9H2,1H3,(H,23,26).
What are the key properties of 2-[2-(5-bromo-2-propoxyphenyl)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[2-(5-bromo-2-propoxyphenyl)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 427.30 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2-propoxyphenyl)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 11743246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).