2,5-dibromo-3-methylpyridine;2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide

C33H32Br2FN5O3 — CID 158724683

IUPAC2,5-dibromo-3-methylpyridine;2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
SMILESCc1cc(Br)cnc1Br.Cc1cc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cnc1N1CCOCC1
InChIInChI=1S/C27H27FN4O3.C6H5Br2N/c1-16-12-17(15-29-25(16)32-8-10-35-11-9-32)27(2,3)31-26(34)19-14-23-20(13-21(19)28)24(33)18-6-4-5-7-22(18)30-23;1-4-2-5(7)3-9-6(4)8/h4-7,12-15H,8-11H2,1-3H3,(H,30,33)(H,31,34);2-3H,1H3
InChIKeyIKISEPNMACDGFJ-UHFFFAOYSA-N
MW725.46 g/mol
LogP6.94
Rot. Bonds4

About 2,5-dibromo-3-methylpyridine;2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide

2,5-dibromo-3-methylpyridine;2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide (PubChem CID 158724683) has the molecular formula C33H32Br2FN5O3 and a molecular weight of 725.46 g/mol. Its IUPAC name is 2,5-dibromo-3-methylpyridine;2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-3-methylpyridine;2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
PubChem CID158724683
Molecular FormulaC33H32Br2FN5O3
Molecular Weight725.46 g/mol
Exact Mass723.09
IUPAC Name2,5-dibromo-3-methylpyridine;2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
SMILESCc1cc(Br)cnc1Br.Cc1cc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cnc1N1CCOCC1
InChIInChI=1S/C27H27FN4O3.C6H5Br2N/c1-16-12-17(15-29-25(16)32-8-10-35-11-9-32)27(2,3)31-26(34)19-14-23-20(13-21(19)28)24(33)18-6-4-5-7-22(18)30-23;1-4-2-5(7)3-9-6(4)8/h4-7,12-15H,8-11H2,1-3H3,(H,30,33)(H,31,34);2-3H,1H3
InChIKeyIKISEPNMACDGFJ-UHFFFAOYSA-N
XLogP6.94
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.46
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2,5-dibromo-3-methylpyridine;2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide with MolForge

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Related Compounds

Bms-566419
CID 9913339
2-fluoro-N-{2-[5-methyl-6-(morpholin-4-yl)pyridin-3-yl]propan-2-yl}-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748745
2-fluoro-N-{2-[6-(morpholin-4-yl)pyridin-3-yl]propan-2-yl}-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 9912093
N-{2-[2-(dimethylamino)pyridin-4-yl]propan-2-yl}-2-fluoro-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748145
N-{2-[6-(dimethylamino)pyridin-3-yl]propan-2-yl}-2-fluoro-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748529
N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide
CID 18727945
N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide
CID 18727949
N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide
CID 18728076
N-[2-methyl-5-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 25106473
N-(5-fluoro-2-pyridinyl)-2-(3-morpholin-4-ylphenyl)quinoline-8-carboxamide
CID 58154757
tert-butyl N-[1-[5-[2-[(2-fluoro-9-oxo-10H-acridine-3-carbonyl)amino]propan-2-yl]-2-pyridinyl]piperidin-4-yl]carbamate
CID 59019273
2-fluoro-N-[2-[6-(morpholin-4-ylamino)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
CID 59019286

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-methylpyridine;2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The IUPAC name of 2,5-dibromo-3-methylpyridine;2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide (CID 158724683) is 2,5-dibromo-3-methylpyridine;2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-3-methylpyridine;2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The canonical SMILES for 2,5-dibromo-3-methylpyridine;2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide is Cc1cc(Br)cnc1Br.Cc1cc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cnc1N1CCOCC1.
What is the InChIKey of 2,5-dibromo-3-methylpyridine;2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The InChIKey is IKISEPNMACDGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O3.C6H5Br2N/c1-16-12-17(15-29-25(16)32-8-10-35-11-9-32)27(2,3)31-26(34)19-14-23-20(13-21(19)28)24(33)18-6-4-5-7-22(18)30-23;1-4-2-5(7)3-9-6(4)8/h4-7,12-15H,8-11H2,1-3H3,(H,30,33)(H,31,34);2-3H,1H3.
What are the key properties of 2,5-dibromo-3-methylpyridine;2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
2,5-dibromo-3-methylpyridine;2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide has a molecular weight of 725.46 g/mol, XLogP of 6.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-methylpyridine;2-fluoro-N-[2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide is sourced from PubChem (CID 158724683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).