2-bromo-4-ethyl-5-nitropyridine;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-5-nitropyridine;6-(3,3-difluoropyrrolidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine

C70H84BrF10N21O4 — CID 159937407

IUPAC2-bromo-4-ethyl-5-nitropyridine;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-5-nitropyridine;6-(3,3-difluoropyrrolidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine
SMILESCCc1cc(Br)ncc1[N+](=O)[O-].CCc1cc(N2CCC(F)(F)C2)ncc1N.CCc1cc(N2CCC(F)(F)C2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(N2CCC(F)(F)C2)ncc1Nc1cc2c(cn1)ncn2C.CCc1cc(N2CCC(F)(F)C2)ncc1[N+](=O)[O-].FC1(F)CCNC1
InChIInChI=1S/C19H22F2N6.C18H20F2N6.C11H13F2N3O2.C11H15F2N3.C7H7BrN2O2.C4H7F2N/c1-4-13-7-18(27-6-5-19(20,21)11-27)23-10-16(13)26(3)17-8-15-14(9-22-17)24-12-25(15)2;1-3-12-6-17(26-5-4-18(19,20)10-26)22-8-13(12)24-16-7-15-14(9-21-16)23-11-25(15)2;1-2-8-5-10(14-6-9(8)16(17)18)15-4-3-11(12,13)7-15;1-2-8-5-10(15-6-9(8)14)16-4-3-11(12,13)7-16;1-2-5-3-7(8)9-4-6(5)10(11)12;5-4(6)1-2-7-3-4/h7-10,12H,4-6,11H2,1-3H3;6-9,11H,3-5,10H2,1-2H3,(H,21,24);5-6H,2-4,7H2,1H3;5-6H,2-4,7,14H2,1H3;3-4H,2H2,1H3;7H,1-3H2
InChIKeyOAKXFUVSXFITOP-UHFFFAOYSA-N
MW1553.47 g/mol
LogP14.45
Rot. Bonds15

About 2-bromo-4-ethyl-5-nitropyridine;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-5-nitropyridine;6-(3,3-difluoropyrrolidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine

2-bromo-4-ethyl-5-nitropyridine;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-5-nitropyridine;6-(3,3-difluoropyrrolidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine (PubChem CID 159937407) has the molecular formula C70H84BrF10N21O4 and a molecular weight of 1553.47 g/mol. Its IUPAC name is 2-bromo-4-ethyl-5-nitropyridine;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-5-nitropyridine;6-(3,3-difluoropyrrolidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name2-bromo-4-ethyl-5-nitropyridine;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-5-nitropyridine;6-(3,3-difluoropyrrolidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine
PubChem CID159937407
Molecular FormulaC70H84BrF10N21O4
Molecular Weight1553.47 g/mol
Exact Mass1551.60
IUPAC Name2-bromo-4-ethyl-5-nitropyridine;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-5-nitropyridine;6-(3,3-difluoropyrrolidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine
SMILESCCc1cc(Br)ncc1[N+](=O)[O-].CCc1cc(N2CCC(F)(F)C2)ncc1N.CCc1cc(N2CCC(F)(F)C2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(N2CCC(F)(F)C2)ncc1Nc1cc2c(cn1)ncn2C.CCc1cc(N2CCC(F)(F)C2)ncc1[N+](=O)[O-].FC1(F)CCNC1
InChIInChI=1S/C19H22F2N6.C18H20F2N6.C11H13F2N3O2.C11H15F2N3.C7H7BrN2O2.C4H7F2N/c1-4-13-7-18(27-6-5-19(20,21)11-27)23-10-16(13)26(3)17-8-15-14(9-22-17)24-12-25(15)2;1-3-12-6-17(26-5-4-18(19,20)10-26)22-8-13(12)24-16-7-15-14(9-21-16)23-11-25(15)2;1-2-8-5-10(14-6-9(8)16(17)18)15-4-3-11(12,13)7-15;1-2-8-5-10(15-6-9(8)14)16-4-3-11(12,13)7-16;1-2-5-3-7(8)9-4-6(5)10(11)12;5-4(6)1-2-7-3-4/h7-10,12H,4-6,11H2,1-3H3;6-9,11H,3-5,10H2,1-2H3,(H,21,24);5-6H,2-4,7H2,1H3;5-6H,2-4,7,14H2,1H3;3-4H,2H2,1H3;7H,1-3H2
InChIKeyOAKXFUVSXFITOP-UHFFFAOYSA-N
XLogP14.45
TPSA278.43 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001553.47
LogP ≤ 514.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-bromo-4-ethyl-5-nitropyridine;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-5-nitropyridine;6-(3,3-difluoropyrrolidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine with MolForge

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Related Compounds

5-chloro-3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;N,3-dimethyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-amine;5-N,3-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5,6-diamine;4-hydroxy-3-methyl-6-nitro-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridin-4-ium;methane;2-N-methyl-5-nitropyridine-2,3-diamine;3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
CID 159250566
5-chloro-3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;N,3-dimethyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-amine;5-N,3-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5,6-diamine;4-hydroxy-3-methyl-6-nitro-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridin-4-ium;2-N-methyl-5-nitropyridine-2,3-diamine;3-methyl-6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
CID 159553053
2-bromo-4-ethyl-5-nitropyridine;3,3-difluoroazetidine;6-(3,3-difluoroazetidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoroazetidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;hydrochloride
CID 160733315
4-(6-Anilino-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine;4-(1-benzylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine;4-(6-bromo-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine;4-[1-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;4-[1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;dihydrochloride
CID 173219598
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine;pyridin-3-ylmethanamine
CID 157244248
1-(5-Amino-4-ethyl-2-pyridinyl)piperidine-3-carbonitrile;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-3-carbonitrile;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-3-carbonitrile;1-(4-ethyl-5-nitro-2-pyridinyl)piperidine-3-carbonitrile;piperidine-3-carbonitrile
CID 157820307
5-bromo-2-nitropyridine;7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;1-ethyl-4-(6-nitro-3-pyridinyl)piperazine;4-(4-ethylpiperazin-1-yl)aniline;bis(N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine)
CID 157953428
1-(5-Amino-4-ethyl-2-pyridinyl)pyrrolidin-2-one;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidin-2-one
CID 158026073
1-(5-Amino-4-ethyl-2-pyridinyl)pyrrolidine-3-carbonitrile;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidine-3-carbonitrile;pyrrolidine-3-carbonitrile
CID 159063412
2-bromopyridine;9-ethyl-8-(2-methylpyrimidin-5-yl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]purin-6-amine;9-ethyl-8-(2-methylpyrimidin-5-yl)-N-[(3S)-pyrrolidin-3-yl]purin-6-amine
CID 159109677
2-bromo-4-ethyl-5-nitropyridine;4-ethyl-2-[(3S)-3-methylpyrrolidin-1-yl]-5-nitropyridine;4-ethyl-6-[(3S)-3-methylpyrrolidin-1-yl]pyridin-3-amine;N-[4-ethyl-6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;(3S)-3-methylpyrrolidine
CID 160095590
6-[3-(2,2-Difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine;6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]-3-nitroimidazo[1,2-a]pyridine
CID 160133241

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-ethyl-5-nitropyridine;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-5-nitropyridine;6-(3,3-difluoropyrrolidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of 2-bromo-4-ethyl-5-nitropyridine;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-5-nitropyridine;6-(3,3-difluoropyrrolidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine (CID 159937407) is 2-bromo-4-ethyl-5-nitropyridine;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-5-nitropyridine;6-(3,3-difluoropyrrolidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 2-bromo-4-ethyl-5-nitropyridine;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-5-nitropyridine;6-(3,3-difluoropyrrolidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for 2-bromo-4-ethyl-5-nitropyridine;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-5-nitropyridine;6-(3,3-difluoropyrrolidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine is CCc1cc(Br)ncc1[N+](=O)[O-].CCc1cc(N2CCC(F)(F)C2)ncc1N.CCc1cc(N2CCC(F)(F)C2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(N2CCC(F)(F)C2)ncc1Nc1cc2c(cn1)ncn2C.CCc1cc(N2CCC(F)(F)C2)ncc1[N+](=O)[O-].FC1(F)CCNC1.
What is the InChIKey of 2-bromo-4-ethyl-5-nitropyridine;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-5-nitropyridine;6-(3,3-difluoropyrrolidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is OAKXFUVSXFITOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N6.C18H20F2N6.C11H13F2N3O2.C11H15F2N3.C7H7BrN2O2.C4H7F2N/c1-4-13-7-18(27-6-5-19(20,21)11-27)23-10-16(13)26(3)17-8-15-14(9-22-17)24-12-25(15)2;1-3-12-6-17(26-5-4-18(19,20)10-26)22-8-13(12)24-16-7-15-14(9-21-16)23-11-25(15)2;1-2-8-5-10(14-6-9(8)16(17)18)15-4-3-11(12,13)7-15;1-2-8-5-10(15-6-9(8)14)16-4-3-11(12,13)7-16;1-2-5-3-7(8)9-4-6(5)10(11)12;5-4(6)1-2-7-3-4/h7-10,12H,4-6,11H2,1-3H3;6-9,11H,3-5,10H2,1-2H3,(H,21,24);5-6H,2-4,7H2,1H3;5-6H,2-4,7,14H2,1H3;3-4H,2H2,1H3;7H,1-3H2.
What are the key properties of 2-bromo-4-ethyl-5-nitropyridine;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-5-nitropyridine;6-(3,3-difluoropyrrolidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine?
2-bromo-4-ethyl-5-nitropyridine;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-5-nitropyridine;6-(3,3-difluoropyrrolidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 1553.47 g/mol, XLogP of 14.45, 15 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-ethyl-5-nitropyridine;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-5-nitropyridine;6-(3,3-difluoropyrrolidin-1-yl)-4-ethylpyridin-3-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[6-(3,3-difluoropyrrolidin-1-yl)-4-ethyl-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 159937407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).