acetyl acetate;N-[6-(2-amino-4-pyridinyl)-4-chloro-3-pyridinyl]acetamide;4,6-dichloropyridin-3-amine;N-(4,6-dichloro-3-pyridinyl)acetamide;methane;4-[2-methyl-3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridin-2-amine;3-(morpholin-4-ylmethyl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C75H92BCl5N18O9 — CID 160713923

IUPACacetyl acetate;N-[6-(2-amino-4-pyridinyl)-4-chloro-3-pyridinyl]acetamide;4,6-dichloropyridin-3-amine;N-(4,6-dichloro-3-pyridinyl)acetamide;methane;4-[2-methyl-3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridin-2-amine;3-(morpholin-4-ylmethyl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESC.C.CC(=O)Nc1cnc(-c2ccnc(N)c2)cc1Cl.CC(=O)Nc1cnc(Cl)cc1Cl.CC(=O)OC(C)=O.CC1(C)OB(c2ccnc(N)c2)OC1(C)C.Cc1nc2ccc(-c3ccnc(N)c3)nc2n1-c1cccc(CN2CCOCC2)c1.Nc1cccc(CN2CCOCC2)c1.Nc1cnc(Cl)cc1Cl
InChIInChI=1S/C23H24N6O.C12H11ClN4O.C11H17BN2O2.C11H16N2O.C7H6Cl2N2O.C5H4Cl2N2.C4H6O3.2CH4/c1-16-26-21-6-5-20(18-7-8-25-22(24)14-18)27-23(21)29(16)19-4-2-3-17(13-19)15-28-9-11-30-12-10-28;1-7(18)17-11-6-16-10(5-9(11)13)8-2-3-15-12(14)4-8;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13;1-4(12)11-6-3-10-7(9)2-5(6)8;6-3-1-5(7)9-2-4(3)8;1-3(5)7-4(2)6;;/h2-8,13-14H,9-12,15H2,1H3,(H2,24,25);2-6H,1H3,(H2,14,15)(H,17,18);5-7H,1-4H3,(H2,13,14);1-3,8H,4-7,9,12H2;2-3H,1H3,(H,11,12);1-2H,8H2;1-2H3;2*1H4
InChIKeyRSFHZJZIHDSBJG-UHFFFAOYSA-N
MW1577.75 g/mol
LogP13.29
Rot. Bonds10

About acetyl acetate;N-[6-(2-amino-4-pyridinyl)-4-chloro-3-pyridinyl]acetamide;4,6-dichloropyridin-3-amine;N-(4,6-dichloro-3-pyridinyl)acetamide;methane;4-[2-methyl-3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridin-2-amine;3-(morpholin-4-ylmethyl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

acetyl acetate;N-[6-(2-amino-4-pyridinyl)-4-chloro-3-pyridinyl]acetamide;4,6-dichloropyridin-3-amine;N-(4,6-dichloro-3-pyridinyl)acetamide;methane;4-[2-methyl-3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridin-2-amine;3-(morpholin-4-ylmethyl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 160713923) has the molecular formula C75H92BCl5N18O9 and a molecular weight of 1577.75 g/mol. Its IUPAC name is acetyl acetate;N-[6-(2-amino-4-pyridinyl)-4-chloro-3-pyridinyl]acetamide;4,6-dichloropyridin-3-amine;N-(4,6-dichloro-3-pyridinyl)acetamide;methane;4-[2-methyl-3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridin-2-amine;3-(morpholin-4-ylmethyl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Nameacetyl acetate;N-[6-(2-amino-4-pyridinyl)-4-chloro-3-pyridinyl]acetamide;4,6-dichloropyridin-3-amine;N-(4,6-dichloro-3-pyridinyl)acetamide;methane;4-[2-methyl-3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridin-2-amine;3-(morpholin-4-ylmethyl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID160713923
Molecular FormulaC75H92BCl5N18O9
Molecular Weight1577.75 g/mol
Exact Mass1574.58
IUPAC Nameacetyl acetate;N-[6-(2-amino-4-pyridinyl)-4-chloro-3-pyridinyl]acetamide;4,6-dichloropyridin-3-amine;N-(4,6-dichloro-3-pyridinyl)acetamide;methane;4-[2-methyl-3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridin-2-amine;3-(morpholin-4-ylmethyl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESC.C.CC(=O)Nc1cnc(-c2ccnc(N)c2)cc1Cl.CC(=O)Nc1cnc(Cl)cc1Cl.CC(=O)OC(C)=O.CC1(C)OB(c2ccnc(N)c2)OC1(C)C.Cc1nc2ccc(-c3ccnc(N)c3)nc2n1-c1cccc(CN2CCOCC2)c1.Nc1cccc(CN2CCOCC2)c1.Nc1cnc(Cl)cc1Cl
InChIInChI=1S/C23H24N6O.C12H11ClN4O.C11H17BN2O2.C11H16N2O.C7H6Cl2N2O.C5H4Cl2N2.C4H6O3.2CH4/c1-16-26-21-6-5-20(18-7-8-25-22(24)14-18)27-23(21)29(16)19-4-2-3-17(13-19)15-28-9-11-30-12-10-28;1-7(18)17-11-6-16-10(5-9(11)13)8-2-3-15-12(14)4-8;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13;1-4(12)11-6-3-10-7(9)2-5(6)8;6-3-1-5(7)9-2-4(3)8;1-3(5)7-4(2)6;;/h2-8,13-14H,9-12,15H2,1H3,(H2,24,25);2-6H,1H3,(H2,14,15)(H,17,18);5-7H,1-4H3,(H2,13,14);1-3,8H,4-7,9,12H2;2-3H,1H3,(H,11,12);1-2H,8H2;1-2H3;2*1H4
InChIKeyRSFHZJZIHDSBJG-UHFFFAOYSA-N
XLogP13.29
TPSA383.12 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds10
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001577.75
LogP ≤ 513.29
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze acetyl acetate;N-[6-(2-amino-4-pyridinyl)-4-chloro-3-pyridinyl]acetamide;4,6-dichloropyridin-3-amine;N-(4,6-dichloro-3-pyridinyl)acetamide;methane;4-[2-methyl-3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridin-2-amine;3-(morpholin-4-ylmethyl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine with MolForge

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Related Compounds

(3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 164967087
1-[4-(3,5-Dichloro-4-pyridinyl)piperazin-1-yl]-2-[[5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone
CID 56836990
1-[4-(3,5-Dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone
CID 56836991
1-[3-[8-Chloro-3-[2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-3-phenylurea
CID 67160743
tert-butyl 2-[[2-chloro-3-[2-chloro-3-[[3-[(3-hydroxypyrrolidin-1-yl)methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 135145929
tert-butyl 2-[[2-chloro-3-[2-chloro-3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 135145931
N-[5-[1-[[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(prop-2-enoylamino)phenyl]methyl]-4-chloro-2-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-b]pyridin-3-yl]-2-methylphenyl]prop-2-enamide
CID 146411259
acetyl acetate;2-chloropyridin-3-amine;N-(2-chloro-3-pyridinyl)acetamide;4-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine;4-(morpholin-4-ylmethyl)aniline
CID 157063367
tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(oxane-4-carbonylamino)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;methane;N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxane-4-carboxamide
CID 157104994
tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]carbamate;(2S,6R)-2,6-dimethylmorpholine;4-[3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine
CID 157178650
2,6-Dichloro-9-(3-methylphenyl)purine;5-[9-(3-methylphenyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
CID 157218977
Acetaldehyde;bis(tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylate);5-chloro-7-methylimidazo[1,5-a]pyridine;methane;4-[1-(7-methylimidazo[1,5-a]pyridin-5-yl)piperidin-4-yl]aniline;4-piperidin-4-ylaniline;hydrochloride
CID 157394293

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;N-[6-(2-amino-4-pyridinyl)-4-chloro-3-pyridinyl]acetamide;4,6-dichloropyridin-3-amine;N-(4,6-dichloro-3-pyridinyl)acetamide;methane;4-[2-methyl-3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridin-2-amine;3-(morpholin-4-ylmethyl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The IUPAC name of acetyl acetate;N-[6-(2-amino-4-pyridinyl)-4-chloro-3-pyridinyl]acetamide;4,6-dichloropyridin-3-amine;N-(4,6-dichloro-3-pyridinyl)acetamide;methane;4-[2-methyl-3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridin-2-amine;3-(morpholin-4-ylmethyl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 160713923) is acetyl acetate;N-[6-(2-amino-4-pyridinyl)-4-chloro-3-pyridinyl]acetamide;4,6-dichloropyridin-3-amine;N-(4,6-dichloro-3-pyridinyl)acetamide;methane;4-[2-methyl-3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridin-2-amine;3-(morpholin-4-ylmethyl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for acetyl acetate;N-[6-(2-amino-4-pyridinyl)-4-chloro-3-pyridinyl]acetamide;4,6-dichloropyridin-3-amine;N-(4,6-dichloro-3-pyridinyl)acetamide;methane;4-[2-methyl-3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridin-2-amine;3-(morpholin-4-ylmethyl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for acetyl acetate;N-[6-(2-amino-4-pyridinyl)-4-chloro-3-pyridinyl]acetamide;4,6-dichloropyridin-3-amine;N-(4,6-dichloro-3-pyridinyl)acetamide;methane;4-[2-methyl-3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridin-2-amine;3-(morpholin-4-ylmethyl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is C.C.CC(=O)Nc1cnc(-c2ccnc(N)c2)cc1Cl.CC(=O)Nc1cnc(Cl)cc1Cl.CC(=O)OC(C)=O.CC1(C)OB(c2ccnc(N)c2)OC1(C)C.Cc1nc2ccc(-c3ccnc(N)c3)nc2n1-c1cccc(CN2CCOCC2)c1.Nc1cccc(CN2CCOCC2)c1.Nc1cnc(Cl)cc1Cl.
What is the InChIKey of acetyl acetate;N-[6-(2-amino-4-pyridinyl)-4-chloro-3-pyridinyl]acetamide;4,6-dichloropyridin-3-amine;N-(4,6-dichloro-3-pyridinyl)acetamide;methane;4-[2-methyl-3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridin-2-amine;3-(morpholin-4-ylmethyl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is RSFHZJZIHDSBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O.C12H11ClN4O.C11H17BN2O2.C11H16N2O.C7H6Cl2N2O.C5H4Cl2N2.C4H6O3.2CH4/c1-16-26-21-6-5-20(18-7-8-25-22(24)14-18)27-23(21)29(16)19-4-2-3-17(13-19)15-28-9-11-30-12-10-28;1-7(18)17-11-6-16-10(5-9(11)13)8-2-3-15-12(14)4-8;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13;1-4(12)11-6-3-10-7(9)2-5(6)8;6-3-1-5(7)9-2-4(3)8;1-3(5)7-4(2)6;;/h2-8,13-14H,9-12,15H2,1H3,(H2,24,25);2-6H,1H3,(H2,14,15)(H,17,18);5-7H,1-4H3,(H2,13,14);1-3,8H,4-7,9,12H2;2-3H,1H3,(H,11,12);1-2H,8H2;1-2H3;2*1H4.
What are the key properties of acetyl acetate;N-[6-(2-amino-4-pyridinyl)-4-chloro-3-pyridinyl]acetamide;4,6-dichloropyridin-3-amine;N-(4,6-dichloro-3-pyridinyl)acetamide;methane;4-[2-methyl-3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridin-2-amine;3-(morpholin-4-ylmethyl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
acetyl acetate;N-[6-(2-amino-4-pyridinyl)-4-chloro-3-pyridinyl]acetamide;4,6-dichloropyridin-3-amine;N-(4,6-dichloro-3-pyridinyl)acetamide;methane;4-[2-methyl-3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridin-2-amine;3-(morpholin-4-ylmethyl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 1577.75 g/mol, XLogP of 13.29, 10 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl acetate;N-[6-(2-amino-4-pyridinyl)-4-chloro-3-pyridinyl]acetamide;4,6-dichloropyridin-3-amine;N-(4,6-dichloro-3-pyridinyl)acetamide;methane;4-[2-methyl-3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridin-2-amine;3-(morpholin-4-ylmethyl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 160713923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).