1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one;1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one;1-[5-(1-propanoyl-2,3-dihydroindol-5-yl)-2-pyridinyl]-3-pyridin-3-ylpropan-1-one

C49H49BrN6O4 — CID 167579352

IUPAC1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one;1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one;1-[5-(1-propanoyl-2,3-dihydroindol-5-yl)-2-pyridinyl]-3-pyridin-3-ylpropan-1-one
SMILESCCC(=O)N1CCc2cc(-c3ccc(C(=O)CCc4cccnc4)nc3)ccc21.CCC(=O)N1CCc2cc(C)ccc21.O=C(CCc1cccnc1)c1ccc(Br)cn1
InChIInChI=1S/C24H23N3O2.C13H11BrN2O.C12H15NO/c1-2-24(29)27-13-11-19-14-18(7-9-22(19)27)20-6-8-21(26-16-20)23(28)10-5-17-4-3-12-25-15-17;14-11-4-5-12(16-9-11)13(17)6-3-10-2-1-7-15-8-10;1-3-12(14)13-7-6-10-8-9(2)4-5-11(10)13/h3-4,6-9,12,14-16H,2,5,10-11,13H2,1H3;1-2,4-5,7-9H,3,6H2;4-5,8H,3,6-7H2,1-2H3
InChIKeyGYTCNFQAIMLXJO-UHFFFAOYSA-N
MW865.87 g/mol
LogP9.61
Rot. Bonds11

About 1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one;1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one;1-[5-(1-propanoyl-2,3-dihydroindol-5-yl)-2-pyridinyl]-3-pyridin-3-ylpropan-1-one

1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one;1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one;1-[5-(1-propanoyl-2,3-dihydroindol-5-yl)-2-pyridinyl]-3-pyridin-3-ylpropan-1-one (PubChem CID 167579352) has the molecular formula C49H49BrN6O4 and a molecular weight of 865.87 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one;1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one;1-[5-(1-propanoyl-2,3-dihydroindol-5-yl)-2-pyridinyl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one;1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one;1-[5-(1-propanoyl-2,3-dihydroindol-5-yl)-2-pyridinyl]-3-pyridin-3-ylpropan-1-one
PubChem CID167579352
Molecular FormulaC49H49BrN6O4
Molecular Weight865.87 g/mol
Exact Mass864.30
IUPAC Name1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one;1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one;1-[5-(1-propanoyl-2,3-dihydroindol-5-yl)-2-pyridinyl]-3-pyridin-3-ylpropan-1-one
SMILESCCC(=O)N1CCc2cc(-c3ccc(C(=O)CCc4cccnc4)nc3)ccc21.CCC(=O)N1CCc2cc(C)ccc21.O=C(CCc1cccnc1)c1ccc(Br)cn1
InChIInChI=1S/C24H23N3O2.C13H11BrN2O.C12H15NO/c1-2-24(29)27-13-11-19-14-18(7-9-22(19)27)20-6-8-21(26-16-20)23(28)10-5-17-4-3-12-25-15-17;14-11-4-5-12(16-9-11)13(17)6-3-10-2-1-7-15-8-10;1-3-12(14)13-7-6-10-8-9(2)4-5-11(10)13/h3-4,6-9,12,14-16H,2,5,10-11,13H2,1H3;1-2,4-5,7-9H,3,6H2;4-5,8H,3,6-7H2,1-2H3
InChIKeyGYTCNFQAIMLXJO-UHFFFAOYSA-N
XLogP9.61
TPSA126.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.87
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one;1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one;1-[5-(1-propanoyl-2,3-dihydroindol-5-yl)-2-pyridinyl]-3-pyridin-3-ylpropan-1-one with MolForge

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 167534942
3-fluoro-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoic acid;1-[3-fluoro-4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;methane;pyridin-3-ylmethanamine
CID 167672398
3-(1-propanoyl-2,3-dihydroindol-5-yl)prop-2-ynoic acid;1-(1-propanoyl-2,3-dihydroindol-5-yl)-5-pyridin-3-ylpent-1-yn-3-one;pyridin-3-ylmethanamine
CID 167625949
3-(3-fluorophenyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 167657587
3-methyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(7-methyl-1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one
CID 167698888
4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoic acid;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-4-ylpropan-1-one;pyridin-4-ylmethanamine
CID 167613075
4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoic acid;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyrimidin-4-ylpropan-1-one;pyrimidin-4-ylmethanamine
CID 167652605
3-cyclohexyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(4-methyl-3-pyridinyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-(oxan-4-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridazin-3-ylpropan-1-one
CID 167586158
3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 110303864
4-(6-fluoro-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 149220736
4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360604
methyl 5-bromopyrimidine-2-carboxylate;5-(1-propanoyl-2,3-dihydroindol-5-yl)pyrimidine-2-carboxylic acid;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]propan-1-one
CID 167652180

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one;1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one;1-[5-(1-propanoyl-2,3-dihydroindol-5-yl)-2-pyridinyl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one;1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one;1-[5-(1-propanoyl-2,3-dihydroindol-5-yl)-2-pyridinyl]-3-pyridin-3-ylpropan-1-one (CID 167579352) is 1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one;1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one;1-[5-(1-propanoyl-2,3-dihydroindol-5-yl)-2-pyridinyl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one;1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one;1-[5-(1-propanoyl-2,3-dihydroindol-5-yl)-2-pyridinyl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one;1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one;1-[5-(1-propanoyl-2,3-dihydroindol-5-yl)-2-pyridinyl]-3-pyridin-3-ylpropan-1-one is CCC(=O)N1CCc2cc(-c3ccc(C(=O)CCc4cccnc4)nc3)ccc21.CCC(=O)N1CCc2cc(C)ccc21.O=C(CCc1cccnc1)c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one;1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one;1-[5-(1-propanoyl-2,3-dihydroindol-5-yl)-2-pyridinyl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is GYTCNFQAIMLXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2.C13H11BrN2O.C12H15NO/c1-2-24(29)27-13-11-19-14-18(7-9-22(19)27)20-6-8-21(26-16-20)23(28)10-5-17-4-3-12-25-15-17;14-11-4-5-12(16-9-11)13(17)6-3-10-2-1-7-15-8-10;1-3-12(14)13-7-6-10-8-9(2)4-5-11(10)13/h3-4,6-9,12,14-16H,2,5,10-11,13H2,1H3;1-2,4-5,7-9H,3,6H2;4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one;1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one;1-[5-(1-propanoyl-2,3-dihydroindol-5-yl)-2-pyridinyl]-3-pyridin-3-ylpropan-1-one?
1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one;1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one;1-[5-(1-propanoyl-2,3-dihydroindol-5-yl)-2-pyridinyl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 865.87 g/mol, XLogP of 9.61, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one;1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one;1-[5-(1-propanoyl-2,3-dihydroindol-5-yl)-2-pyridinyl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 167579352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).