3-(4-bromo-2-pyridinyl)-5-morpholin-4-yl-1,4-dihydropyrrolo[3,2-b]pyridin-7-one

C16H15BrN4O2 — CID 148581612

IUPAC3-(4-bromo-2-pyridinyl)-5-morpholin-4-yl-1,4-dihydropyrrolo[3,2-b]pyridin-7-one
SMILESO=c1cc(N2CCOCC2)[nH]c2c(-c3cc(Br)ccn3)c[nH]c12
InChIInChI=1S/C16H15BrN4O2/c17-10-1-2-18-12(7-10)11-9-19-16-13(22)8-14(20-15(11)16)21-3-5-23-6-4-21/h1-2,7-9,19H,3-6H2,(H,20,22)
InChIKeyMYVSKAQDLOLESD-UHFFFAOYSA-N
MW375.23 g/mol
LogP2.52
Rot. Bonds2

About 3-(4-bromo-2-pyridinyl)-5-morpholin-4-yl-1,4-dihydropyrrolo[3,2-b]pyridin-7-one

3-(4-bromo-2-pyridinyl)-5-morpholin-4-yl-1,4-dihydropyrrolo[3,2-b]pyridin-7-one (PubChem CID 148581612) has the molecular formula C16H15BrN4O2 and a molecular weight of 375.23 g/mol. Its IUPAC name is 3-(4-bromo-2-pyridinyl)-5-morpholin-4-yl-1,4-dihydropyrrolo[3,2-b]pyridin-7-one.

Molecular Properties

Compound Name3-(4-bromo-2-pyridinyl)-5-morpholin-4-yl-1,4-dihydropyrrolo[3,2-b]pyridin-7-one
PubChem CID148581612
Molecular FormulaC16H15BrN4O2
Molecular Weight375.23 g/mol
Exact Mass374.04
IUPAC Name3-(4-bromo-2-pyridinyl)-5-morpholin-4-yl-1,4-dihydropyrrolo[3,2-b]pyridin-7-one
SMILESO=c1cc(N2CCOCC2)[nH]c2c(-c3cc(Br)ccn3)c[nH]c12
InChIInChI=1S/C16H15BrN4O2/c17-10-1-2-18-12(7-10)11-9-19-16-13(22)8-14(20-15(11)16)21-3-5-23-6-4-21/h1-2,7-9,19H,3-6H2,(H,20,22)
InChIKeyMYVSKAQDLOLESD-UHFFFAOYSA-N
XLogP2.52
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-bromo-2-pyridinyl)-5-morpholin-4-yl-1,4-dihydropyrrolo[3,2-b]pyridin-7-one with MolForge

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Related Compounds

8-chloro-2-morpholin-4-yl-1H-1,7-naphthyridin-4-one;ethane
CID 145012194
8-(2-acetylphenyl)-2-morpholin-4-yl-1H-quinolin-4-one
CID 69199746
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
6-(azepan-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one
CID 156533558
6-morpholin-4-yl-7,9-dihydropurin-8-one
CID 158639391
carbon dioxide;8-[1-(4-methylphenyl)triazol-4-yl]-2-(1,4-oxazepan-4-yl)-1H-quinolin-4-one
CID 159682877
3-(2-morpholin-4-yl-4-pyridinyl)-1,6-dihydropyrazolo[3,4-c]pyridin-5-one
CID 144795365
6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one
CID 155531007
2-[1-(6-methyl-2-morpholin-4-yl-4-oxo-1H-1,7-naphthyridin-8-yl)ethylamino]benzoic acid
CID 171520548
methyl 4-(3-bromophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 10785031
3-(4-bromo-2-pyridinyl)-1,3-oxazinane
CID 146474477
6-bromo-4-morpholin-4-ylquinoline-3-carbaldehyde
CID 141453765

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-pyridinyl)-5-morpholin-4-yl-1,4-dihydropyrrolo[3,2-b]pyridin-7-one?
The IUPAC name of 3-(4-bromo-2-pyridinyl)-5-morpholin-4-yl-1,4-dihydropyrrolo[3,2-b]pyridin-7-one (CID 148581612) is 3-(4-bromo-2-pyridinyl)-5-morpholin-4-yl-1,4-dihydropyrrolo[3,2-b]pyridin-7-one.
What is the SMILES notation for 3-(4-bromo-2-pyridinyl)-5-morpholin-4-yl-1,4-dihydropyrrolo[3,2-b]pyridin-7-one?
The canonical SMILES for 3-(4-bromo-2-pyridinyl)-5-morpholin-4-yl-1,4-dihydropyrrolo[3,2-b]pyridin-7-one is O=c1cc(N2CCOCC2)[nH]c2c(-c3cc(Br)ccn3)c[nH]c12.
What is the InChIKey of 3-(4-bromo-2-pyridinyl)-5-morpholin-4-yl-1,4-dihydropyrrolo[3,2-b]pyridin-7-one?
The InChIKey is MYVSKAQDLOLESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O2/c17-10-1-2-18-12(7-10)11-9-19-16-13(22)8-14(20-15(11)16)21-3-5-23-6-4-21/h1-2,7-9,19H,3-6H2,(H,20,22).
What are the key properties of 3-(4-bromo-2-pyridinyl)-5-morpholin-4-yl-1,4-dihydropyrrolo[3,2-b]pyridin-7-one?
3-(4-bromo-2-pyridinyl)-5-morpholin-4-yl-1,4-dihydropyrrolo[3,2-b]pyridin-7-one has a molecular weight of 375.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-pyridinyl)-5-morpholin-4-yl-1,4-dihydropyrrolo[3,2-b]pyridin-7-one is sourced from PubChem (CID 148581612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).