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

C70H89BrF5N21O4 — CID 160952144

IUPAC2-bromo-4-ethyl-5-nitropyridine;4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-nitropyridine;4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]pyridin-3-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;(3S)-3-fluoropyrrolidine
SMILESCCc1cc(Br)ncc1[N+](=O)[O-].CCc1cc(N2CC[C@H](F)C2)ncc1N.CCc1cc(N2CC[C@H](F)C2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(N2CC[C@H](F)C2)ncc1Nc1cc2c(cn1)ncn2C.CCc1cc(N2CC[C@H](F)C2)ncc1[N+](=O)[O-].F[C@H]1CCNC1
InChIInChI=1S/C19H23FN6.C18H21FN6.C11H14FN3O2.C11H16FN3.C7H7BrN2O2.C4H8FN/c1-4-13-7-19(26-6-5-14(20)11-26)22-10-17(13)25(3)18-8-16-15(9-21-18)23-12-24(16)2;1-3-12-6-18(25-5-4-13(19)10-25)21-8-14(12)23-17-7-16-15(9-20-17)22-11-24(16)2;1-2-8-5-11(13-6-10(8)15(16)17)14-4-3-9(12)7-14;1-2-8-5-11(14-6-10(8)13)15-4-3-9(12)7-15;1-2-5-3-7(8)9-4-6(5)10(11)12;5-4-1-2-6-3-4/h7-10,12,14H,4-6,11H2,1-3H3;6-9,11,13H,3-5,10H2,1-2H3,(H,20,23);5-6,9H,2-4,7H2,1H3;5-6,9H,2-4,7,13H2,1H3;3-4H,2H2,1H3;4,6H,1-3H2/t14-;13-;2*9-;;4-/m0000.0/s1
InChIKeySVXBCURHWHTCQB-MEVNMIDJSA-N
MW1463.52 g/mol
LogP12.97
Rot. Bonds15

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

2-bromo-4-ethyl-5-nitropyridine;4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-nitropyridine;4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]pyridin-3-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;(3S)-3-fluoropyrrolidine (PubChem CID 160952144) has the molecular formula C70H89BrF5N21O4 and a molecular weight of 1463.52 g/mol. Its IUPAC name is 2-bromo-4-ethyl-5-nitropyridine;4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-nitropyridine;4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]pyridin-3-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;(3S)-3-fluoropyrrolidine.

Molecular Properties

Compound Name2-bromo-4-ethyl-5-nitropyridine;4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-nitropyridine;4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]pyridin-3-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;(3S)-3-fluoropyrrolidine
PubChem CID160952144
Molecular FormulaC70H89BrF5N21O4
Molecular Weight1463.52 g/mol
Exact Mass1461.65
IUPAC Name2-bromo-4-ethyl-5-nitropyridine;4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-nitropyridine;4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]pyridin-3-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;(3S)-3-fluoropyrrolidine
SMILESCCc1cc(Br)ncc1[N+](=O)[O-].CCc1cc(N2CC[C@H](F)C2)ncc1N.CCc1cc(N2CC[C@H](F)C2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(N2CC[C@H](F)C2)ncc1Nc1cc2c(cn1)ncn2C.CCc1cc(N2CC[C@H](F)C2)ncc1[N+](=O)[O-].F[C@H]1CCNC1
InChIInChI=1S/C19H23FN6.C18H21FN6.C11H14FN3O2.C11H16FN3.C7H7BrN2O2.C4H8FN/c1-4-13-7-19(26-6-5-14(20)11-26)22-10-17(13)25(3)18-8-16-15(9-21-18)23-12-24(16)2;1-3-12-6-18(25-5-4-13(19)10-25)21-8-14(12)23-17-7-16-15(9-20-17)22-11-24(16)2;1-2-8-5-11(13-6-10(8)15(16)17)14-4-3-9(12)7-14;1-2-8-5-11(14-6-10(8)13)15-4-3-9(12)7-15;1-2-5-3-7(8)9-4-6(5)10(11)12;5-4-1-2-6-3-4/h7-10,12,14H,4-6,11H2,1-3H3;6-9,11,13H,3-5,10H2,1-2H3,(H,20,23);5-6,9H,2-4,7H2,1H3;5-6,9H,2-4,7,13H2,1H3;3-4H,2H2,1H3;4,6H,1-3H2/t14-;13-;2*9-;;4-/m0000.0/s1
InChIKeySVXBCURHWHTCQB-MEVNMIDJSA-N
XLogP12.97
TPSA278.43 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001463.52
LogP ≤ 512.97
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;4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-nitropyridine;4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]pyridin-3-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;(3S)-3-fluoropyrrolidine 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-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
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
CID 157077260
CID 157077260
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
6-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine;bis(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-amine);6-bromo-1H-pyrrolo[2,3-b]pyridine
CID 158433179
dipotassium;2-bromo-5-methylpyridine;9-ethyl-N-[(3S)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]-8-(2-methylpyrimidin-5-yl)purin-6-amine;9-ethyl-8-(2-methylpyrimidin-5-yl)-N-[(3S)-pyrrolidin-3-yl]purin-6-amine;hydride;oxido formate
CID 158759638
N-[6-(3-aminoazetidin-1-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;2-bromo-4-ethyl-5-nitropyridine;tert-butyl N-[1-(5-amino-4-ethyl-2-pyridinyl)azetidin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[1-(4-ethyl-5-nitro-2-pyridinyl)azetidin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;4-ethyl-2-(3-methylazetidin-1-yl)-5-nitropyridine;3-methylazetidine;hydrochloride
CID 158799116
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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-ethyl-5-nitropyridine;4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-nitropyridine;4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]pyridin-3-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;(3S)-3-fluoropyrrolidine?
The IUPAC name of 2-bromo-4-ethyl-5-nitropyridine;4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-nitropyridine;4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]pyridin-3-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;(3S)-3-fluoropyrrolidine (CID 160952144) is 2-bromo-4-ethyl-5-nitropyridine;4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-nitropyridine;4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]pyridin-3-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;(3S)-3-fluoropyrrolidine.
What is the SMILES notation for 2-bromo-4-ethyl-5-nitropyridine;4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-nitropyridine;4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]pyridin-3-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;(3S)-3-fluoropyrrolidine?
The canonical SMILES for 2-bromo-4-ethyl-5-nitropyridine;4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-nitropyridine;4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]pyridin-3-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;(3S)-3-fluoropyrrolidine is CCc1cc(Br)ncc1[N+](=O)[O-].CCc1cc(N2CC[C@H](F)C2)ncc1N.CCc1cc(N2CC[C@H](F)C2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(N2CC[C@H](F)C2)ncc1Nc1cc2c(cn1)ncn2C.CCc1cc(N2CC[C@H](F)C2)ncc1[N+](=O)[O-].F[C@H]1CCNC1.
What is the InChIKey of 2-bromo-4-ethyl-5-nitropyridine;4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-nitropyridine;4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]pyridin-3-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;(3S)-3-fluoropyrrolidine?
The InChIKey is SVXBCURHWHTCQB-MEVNMIDJSA-N. The full InChI is InChI=1S/C19H23FN6.C18H21FN6.C11H14FN3O2.C11H16FN3.C7H7BrN2O2.C4H8FN/c1-4-13-7-19(26-6-5-14(20)11-26)22-10-17(13)25(3)18-8-16-15(9-21-18)23-12-24(16)2;1-3-12-6-18(25-5-4-13(19)10-25)21-8-14(12)23-17-7-16-15(9-20-17)22-11-24(16)2;1-2-8-5-11(13-6-10(8)15(16)17)14-4-3-9(12)7-14;1-2-8-5-11(14-6-10(8)13)15-4-3-9(12)7-15;1-2-5-3-7(8)9-4-6(5)10(11)12;5-4-1-2-6-3-4/h7-10,12,14H,4-6,11H2,1-3H3;6-9,11,13H,3-5,10H2,1-2H3,(H,20,23);5-6,9H,2-4,7H2,1H3;5-6,9H,2-4,7,13H2,1H3;3-4H,2H2,1H3;4,6H,1-3H2/t14-;13-;2*9-;;4-/m0000.0/s1.
What are the key properties of 2-bromo-4-ethyl-5-nitropyridine;4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-nitropyridine;4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]pyridin-3-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;(3S)-3-fluoropyrrolidine?
2-bromo-4-ethyl-5-nitropyridine;4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-nitropyridine;4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]pyridin-3-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;(3S)-3-fluoropyrrolidine has a molecular weight of 1463.52 g/mol, XLogP of 12.97, 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;4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-5-nitropyridine;4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]pyridin-3-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-6-amine;(3S)-3-fluoropyrrolidine is sourced from PubChem (CID 160952144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).