7-chloro-3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;4-chloro-N-ethyl-3-nitropyridin-2-amine;4-chloro-2-N-ethylpyridine-2,3-diamine;(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[[3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridin-7-yl]amino]butan-1-one;ethyl acetate;methane;2-methylpyrimidine-5-carbaldehyde

C61H79Cl3N20O7 — CID 159384605

IUPAC7-chloro-3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;4-chloro-N-ethyl-3-nitropyridin-2-amine;4-chloro-2-N-ethylpyridine-2,3-diamine;(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[[3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridin-7-yl]amino]butan-1-one;ethyl acetate;methane;2-methylpyrimidine-5-carbaldehyde
SMILESC.CCNc1nccc(Cl)c1N.CCNc1nccc(Cl)c1[N+](=O)[O-].CCOC(C)=O.CC[C@H](Nc1ccnc2c1nc(-c1cnc(C)nc1)n2CC)C(=O)N1C[C@@H](C)O[C@@H](C)C1.CCn1c(-c2cnc(C)nc2)nc2c(Cl)ccnc21.Cc1ncc(C=O)cn1
InChIInChI=1S/C23H31N7O2.C13H12ClN5.C7H8ClN3O2.C7H10ClN3.C6H6N2O.C4H8O2.CH4/c1-6-18(23(31)29-12-14(3)32-15(4)13-29)27-19-8-9-24-22-20(19)28-21(30(22)7-2)17-10-25-16(5)26-11-17;1-3-19-12(9-6-16-8(2)17-7-9)18-11-10(14)4-5-15-13(11)19;1-2-9-7-6(11(12)13)5(8)3-4-10-7;1-2-10-7-6(9)5(8)3-4-11-7;1-5-7-2-6(4-9)3-8-5;1-3-6-4(2)5;/h8-11,14-15,18H,6-7,12-13H2,1-5H3,(H,24,27);4-7H,3H2,1-2H3;3-4H,2H2,1H3,(H,9,10);3-4H,2,9H2,1H3,(H,10,11);2-4H,1H3;3H2,1-2H3;1H4/t14-,15+,18-;;;;;;/m0....../s1
InChIKeyLLILFUOLFYBTFK-KHUDWHPXSA-N
MW1310.79 g/mol
LogP11.54
Rot. Bonds15

About 7-chloro-3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;4-chloro-N-ethyl-3-nitropyridin-2-amine;4-chloro-2-N-ethylpyridine-2,3-diamine;(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[[3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridin-7-yl]amino]butan-1-one;ethyl acetate;methane;2-methylpyrimidine-5-carbaldehyde

7-chloro-3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;4-chloro-N-ethyl-3-nitropyridin-2-amine;4-chloro-2-N-ethylpyridine-2,3-diamine;(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[[3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridin-7-yl]amino]butan-1-one;ethyl acetate;methane;2-methylpyrimidine-5-carbaldehyde (PubChem CID 159384605) has the molecular formula C61H79Cl3N20O7 and a molecular weight of 1310.79 g/mol. Its IUPAC name is 7-chloro-3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;4-chloro-N-ethyl-3-nitropyridin-2-amine;4-chloro-2-N-ethylpyridine-2,3-diamine;(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[[3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridin-7-yl]amino]butan-1-one;ethyl acetate;methane;2-methylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name7-chloro-3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;4-chloro-N-ethyl-3-nitropyridin-2-amine;4-chloro-2-N-ethylpyridine-2,3-diamine;(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[[3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridin-7-yl]amino]butan-1-one;ethyl acetate;methane;2-methylpyrimidine-5-carbaldehyde
PubChem CID159384605
Molecular FormulaC61H79Cl3N20O7
Molecular Weight1310.79 g/mol
Exact Mass1308.55
IUPAC Name7-chloro-3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;4-chloro-N-ethyl-3-nitropyridin-2-amine;4-chloro-2-N-ethylpyridine-2,3-diamine;(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[[3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridin-7-yl]amino]butan-1-one;ethyl acetate;methane;2-methylpyrimidine-5-carbaldehyde
SMILESC.CCNc1nccc(Cl)c1N.CCNc1nccc(Cl)c1[N+](=O)[O-].CCOC(C)=O.CC[C@H](Nc1ccnc2c1nc(-c1cnc(C)nc1)n2CC)C(=O)N1C[C@@H](C)O[C@@H](C)C1.CCn1c(-c2cnc(C)nc2)nc2c(Cl)ccnc21.Cc1ncc(C=O)cn1
InChIInChI=1S/C23H31N7O2.C13H12ClN5.C7H8ClN3O2.C7H10ClN3.C6H6N2O.C4H8O2.CH4/c1-6-18(23(31)29-12-14(3)32-15(4)13-29)27-19-8-9-24-22-20(19)28-21(30(22)7-2)17-10-25-16(5)26-11-17;1-3-19-12(9-6-16-8(2)17-7-9)18-11-10(14)4-5-15-13(11)19;1-2-9-7-6(11(12)13)5(8)3-4-10-7;1-2-10-7-6(9)5(8)3-4-11-7;1-5-7-2-6(4-9)3-8-5;1-3-6-4(2)5;/h8-11,14-15,18H,6-7,12-13H2,1-5H3,(H,24,27);4-7H,3H2,1-2H3;3-4H,2H2,1H3,(H,9,10);3-4H,2,9H2,1H3,(H,10,11);2-4H,1H3;3H2,1-2H3;1H4/t14-,15+,18-;;;;;;/m0....../s1
InChIKeyLLILFUOLFYBTFK-KHUDWHPXSA-N
XLogP11.54
TPSA342.70 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001310.79
LogP ≤ 511.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 7-chloro-3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;4-chloro-N-ethyl-3-nitropyridin-2-amine;4-chloro-2-N-ethylpyridine-2,3-diamine;(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[[3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridin-7-yl]amino]butan-1-one;ethyl acetate;methane;2-methylpyrimidine-5-carbaldehyde with MolForge

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Related Compounds

tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(3-amino-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 4-imidazo[4,5-c]pyridin-1-ylpiperidine-1-carboxylate;tert-butyl 4-[(3-nitro-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 4-(5-oxidoimidazo[4,5-c]pyridin-5-ium-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate;4-chloro-3-nitropyridine;1-piperidin-4-yl-5H-imidazo[4,5-c]pyridin-4-one
CID 159870310
1-bromo-2-methoxy-2-methylpropane;5-chloro-N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide;8-chloro-2-methylimidazo[1,2-a]pyridin-6-amine;8-chloro-2-methyl-6-nitroimidazo[1,2-a]pyridine;3-chloro-5-nitropyridin-2-amine;methane
CID 168385942

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;4-chloro-N-ethyl-3-nitropyridin-2-amine;4-chloro-2-N-ethylpyridine-2,3-diamine;(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[[3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridin-7-yl]amino]butan-1-one;ethyl acetate;methane;2-methylpyrimidine-5-carbaldehyde?
The IUPAC name of 7-chloro-3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;4-chloro-N-ethyl-3-nitropyridin-2-amine;4-chloro-2-N-ethylpyridine-2,3-diamine;(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[[3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridin-7-yl]amino]butan-1-one;ethyl acetate;methane;2-methylpyrimidine-5-carbaldehyde (CID 159384605) is 7-chloro-3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;4-chloro-N-ethyl-3-nitropyridin-2-amine;4-chloro-2-N-ethylpyridine-2,3-diamine;(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[[3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridin-7-yl]amino]butan-1-one;ethyl acetate;methane;2-methylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 7-chloro-3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;4-chloro-N-ethyl-3-nitropyridin-2-amine;4-chloro-2-N-ethylpyridine-2,3-diamine;(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[[3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridin-7-yl]amino]butan-1-one;ethyl acetate;methane;2-methylpyrimidine-5-carbaldehyde?
The canonical SMILES for 7-chloro-3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;4-chloro-N-ethyl-3-nitropyridin-2-amine;4-chloro-2-N-ethylpyridine-2,3-diamine;(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[[3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridin-7-yl]amino]butan-1-one;ethyl acetate;methane;2-methylpyrimidine-5-carbaldehyde is C.CCNc1nccc(Cl)c1N.CCNc1nccc(Cl)c1[N+](=O)[O-].CCOC(C)=O.CC[C@H](Nc1ccnc2c1nc(-c1cnc(C)nc1)n2CC)C(=O)N1C[C@@H](C)O[C@@H](C)C1.CCn1c(-c2cnc(C)nc2)nc2c(Cl)ccnc21.Cc1ncc(C=O)cn1.
What is the InChIKey of 7-chloro-3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;4-chloro-N-ethyl-3-nitropyridin-2-amine;4-chloro-2-N-ethylpyridine-2,3-diamine;(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[[3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridin-7-yl]amino]butan-1-one;ethyl acetate;methane;2-methylpyrimidine-5-carbaldehyde?
The InChIKey is LLILFUOLFYBTFK-KHUDWHPXSA-N. The full InChI is InChI=1S/C23H31N7O2.C13H12ClN5.C7H8ClN3O2.C7H10ClN3.C6H6N2O.C4H8O2.CH4/c1-6-18(23(31)29-12-14(3)32-15(4)13-29)27-19-8-9-24-22-20(19)28-21(30(22)7-2)17-10-25-16(5)26-11-17;1-3-19-12(9-6-16-8(2)17-7-9)18-11-10(14)4-5-15-13(11)19;1-2-9-7-6(11(12)13)5(8)3-4-10-7;1-2-10-7-6(9)5(8)3-4-11-7;1-5-7-2-6(4-9)3-8-5;1-3-6-4(2)5;/h8-11,14-15,18H,6-7,12-13H2,1-5H3,(H,24,27);4-7H,3H2,1-2H3;3-4H,2H2,1H3,(H,9,10);3-4H,2,9H2,1H3,(H,10,11);2-4H,1H3;3H2,1-2H3;1H4/t14-,15+,18-;;;;;;/m0....../s1.
What are the key properties of 7-chloro-3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;4-chloro-N-ethyl-3-nitropyridin-2-amine;4-chloro-2-N-ethylpyridine-2,3-diamine;(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[[3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridin-7-yl]amino]butan-1-one;ethyl acetate;methane;2-methylpyrimidine-5-carbaldehyde?
7-chloro-3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;4-chloro-N-ethyl-3-nitropyridin-2-amine;4-chloro-2-N-ethylpyridine-2,3-diamine;(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[[3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridin-7-yl]amino]butan-1-one;ethyl acetate;methane;2-methylpyrimidine-5-carbaldehyde has a molecular weight of 1310.79 g/mol, XLogP of 11.54, 15 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;4-chloro-N-ethyl-3-nitropyridin-2-amine;4-chloro-2-N-ethylpyridine-2,3-diamine;(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[[3-ethyl-2-(2-methylpyrimidin-5-yl)imidazo[4,5-b]pyridin-7-yl]amino]butan-1-one;ethyl acetate;methane;2-methylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 159384605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).