2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;(6-chloro-3-pyridinyl)methanamine;2-[(6-chloro-3-pyridinyl)methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-iodo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

C102H77BrCl3F16IN32O4 — CID 158869395

IUPAC2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;(6-chloro-3-pyridinyl)methanamine;2-[(6-chloro-3-pyridinyl)methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-iodo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1cc(-c2ccc(CNc3ncc(C(F)(F)F)cc3C(=O)Nc3ccc(F)cc3)cn2)c2c(N)ncnc21.Cn1cc(I)c2c(N)ncnc21.NCc1ccc(Cl)nc1.Nc1[nH]nc2ncc(-c3ccc(CNc4ncc(C(F)(F)F)cc4C(=O)Nc4ccc(F)cc4)cn3)cc12.Nc1[nH]nc2ncc(Br)cc12.O=C(Nc1ccc(F)cc1)c1cc(C(F)(F)F)cnc1Cl.O=C(Nc1ccc(F)cc1)c1cc(C(F)(F)F)cnc1NCc1ccc(Cl)nc1
InChIInChI=1S/C26H20F4N8O.C25H18F4N8O.C19H13ClF4N4O.C13H7ClF4N2O.C7H7IN4.C6H5BrN4.C6H7ClN2/c1-38-12-19(21-22(31)35-13-36-24(21)38)20-7-2-14(9-32-20)10-33-23-18(8-15(11-34-23)26(28,29)30)25(39)37-17-5-3-16(27)4-6-17;26-16-2-4-17(5-3-16)35-24(38)19-8-15(25(27,28)29)12-34-22(19)32-10-13-1-6-20(31-9-13)14-7-18-21(30)36-37-23(18)33-11-14;20-16-6-1-11(8-25-16)9-26-17-15(7-12(10-27-17)19(22,23)24)18(29)28-14-4-2-13(21)3-5-14;14-11-10(5-7(6-19-11)13(16,17)18)12(21)20-9-3-1-8(15)2-4-9;1-12-2-4(8)5-6(9)10-3-11-7(5)12;7-3-1-4-5(8)10-11-6(4)9-2-3;7-6-2-1-5(3-8)4-9-6/h2-9,11-13H,10H2,1H3,(H,33,34)(H,37,39)(H2,31,35,36);1-9,11-12H,10H2,(H,32,34)(H,35,38)(H3,30,33,36,37);1-8,10H,9H2,(H,26,27)(H,28,29);1-6H,(H,20,21);2-3H,1H3,(H2,9,10,11);1-2H,(H3,8,9,10,11);1-2,4H,3,8H2
InChIKeyJBQNXZGRXXBVFI-UHFFFAOYSA-N
MW2432.09 g/mol
LogP23.00
Rot. Bonds20

About 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;(6-chloro-3-pyridinyl)methanamine;2-[(6-chloro-3-pyridinyl)methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-iodo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;(6-chloro-3-pyridinyl)methanamine;2-[(6-chloro-3-pyridinyl)methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-iodo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 158869395) has the molecular formula C102H77BrCl3F16IN32O4 and a molecular weight of 2432.09 g/mol. Its IUPAC name is 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;(6-chloro-3-pyridinyl)methanamine;2-[(6-chloro-3-pyridinyl)methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-iodo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;(6-chloro-3-pyridinyl)methanamine;2-[(6-chloro-3-pyridinyl)methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-iodo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID158869395
Molecular FormulaC102H77BrCl3F16IN32O4
Molecular Weight2432.09 g/mol
Exact Mass2428.38
IUPAC Name2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;(6-chloro-3-pyridinyl)methanamine;2-[(6-chloro-3-pyridinyl)methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-iodo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1cc(-c2ccc(CNc3ncc(C(F)(F)F)cc3C(=O)Nc3ccc(F)cc3)cn2)c2c(N)ncnc21.Cn1cc(I)c2c(N)ncnc21.NCc1ccc(Cl)nc1.Nc1[nH]nc2ncc(-c3ccc(CNc4ncc(C(F)(F)F)cc4C(=O)Nc4ccc(F)cc4)cn3)cc12.Nc1[nH]nc2ncc(Br)cc12.O=C(Nc1ccc(F)cc1)c1cc(C(F)(F)F)cnc1Cl.O=C(Nc1ccc(F)cc1)c1cc(C(F)(F)F)cnc1NCc1ccc(Cl)nc1
InChIInChI=1S/C26H20F4N8O.C25H18F4N8O.C19H13ClF4N4O.C13H7ClF4N2O.C7H7IN4.C6H5BrN4.C6H7ClN2/c1-38-12-19(21-22(31)35-13-36-24(21)38)20-7-2-14(9-32-20)10-33-23-18(8-15(11-34-23)26(28,29)30)25(39)37-17-5-3-16(27)4-6-17;26-16-2-4-17(5-3-16)35-24(38)19-8-15(25(27,28)29)12-34-22(19)32-10-13-1-6-20(31-9-13)14-7-18-21(30)36-37-23(18)33-11-14;20-16-6-1-11(8-25-16)9-26-17-15(7-12(10-27-17)19(22,23)24)18(29)28-14-4-2-13(21)3-5-14;14-11-10(5-7(6-19-11)13(16,17)18)12(21)20-9-3-1-8(15)2-4-9;1-12-2-4(8)5-6(9)10-3-11-7(5)12;7-3-1-4-5(8)10-11-6(4)9-2-3;7-6-2-1-5(3-8)4-9-6/h2-9,11-13H,10H2,1H3,(H,33,34)(H,37,39)(H2,31,35,36);1-9,11-12H,10H2,(H,32,34)(H,35,38)(H3,30,33,36,37);1-8,10H,9H2,(H,26,27)(H,28,29);1-6H,(H,20,21);2-3H,1H3,(H2,9,10,11);1-2H,(H3,8,9,10,11);1-2,4H,3,8H2
InChIKeyJBQNXZGRXXBVFI-UHFFFAOYSA-N
XLogP23.00
TPSA530.27 Ų
H-Bond Donors14
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002432.09
LogP ≤ 523.00
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;(6-chloro-3-pyridinyl)methanamine;2-[(6-chloro-3-pyridinyl)methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-iodo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

4-chloro-N-(4-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(1-ethylpiperidin-4-yl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(1-methylpiperidin-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 157559543
2-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;methane;[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methanamine
CID 157604217
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 157628126
N-butyl-4-(3-chlorophenyl)-5-oxo-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide;4-(3-chlorophenyl)-N-ethyl-5-oxo-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide;N-ethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide;5-oxo-N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide
CID 157722016
4-(5-chloro-2-pyridinyl)-N-ethyl-5-oxo-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide;5-oxo-N,4-diphenyl-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide;5-oxo-4-phenyl-N-(2,2,2-trifluoroethyl)-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide;4-phenyl-10-(4-propan-2-ylpiperazine-1-carbonyl)-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one
CID 157921080
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylpropanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 157957750
CID 158326980
CID 158326980
CID 158442590
CID 158442590
CID 158590608
CID 158590608
1-[3-[4-(2-Chloro-3-fluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-(2-chloro-5-fluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-[5-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;imidazo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158676295
4-chloro-N-(4-chlorophenyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-pyrazol-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(4H-pyrazol-3-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 159413614
2-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methanamine
CID 159788876

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;(6-chloro-3-pyridinyl)methanamine;2-[(6-chloro-3-pyridinyl)methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-iodo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;(6-chloro-3-pyridinyl)methanamine;2-[(6-chloro-3-pyridinyl)methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-iodo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (CID 158869395) is 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;(6-chloro-3-pyridinyl)methanamine;2-[(6-chloro-3-pyridinyl)methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-iodo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;(6-chloro-3-pyridinyl)methanamine;2-[(6-chloro-3-pyridinyl)methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-iodo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;(6-chloro-3-pyridinyl)methanamine;2-[(6-chloro-3-pyridinyl)methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-iodo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is Cn1cc(-c2ccc(CNc3ncc(C(F)(F)F)cc3C(=O)Nc3ccc(F)cc3)cn2)c2c(N)ncnc21.Cn1cc(I)c2c(N)ncnc21.NCc1ccc(Cl)nc1.Nc1[nH]nc2ncc(-c3ccc(CNc4ncc(C(F)(F)F)cc4C(=O)Nc4ccc(F)cc4)cn3)cc12.Nc1[nH]nc2ncc(Br)cc12.O=C(Nc1ccc(F)cc1)c1cc(C(F)(F)F)cnc1Cl.O=C(Nc1ccc(F)cc1)c1cc(C(F)(F)F)cnc1NCc1ccc(Cl)nc1.
What is the InChIKey of 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;(6-chloro-3-pyridinyl)methanamine;2-[(6-chloro-3-pyridinyl)methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-iodo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is JBQNXZGRXXBVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N8O.C25H18F4N8O.C19H13ClF4N4O.C13H7ClF4N2O.C7H7IN4.C6H5BrN4.C6H7ClN2/c1-38-12-19(21-22(31)35-13-36-24(21)38)20-7-2-14(9-32-20)10-33-23-18(8-15(11-34-23)26(28,29)30)25(39)37-17-5-3-16(27)4-6-17;26-16-2-4-17(5-3-16)35-24(38)19-8-15(25(27,28)29)12-34-22(19)32-10-13-1-6-20(31-9-13)14-7-18-21(30)36-37-23(18)33-11-14;20-16-6-1-11(8-25-16)9-26-17-15(7-12(10-27-17)19(22,23)24)18(29)28-14-4-2-13(21)3-5-14;14-11-10(5-7(6-19-11)13(16,17)18)12(21)20-9-3-1-8(15)2-4-9;1-12-2-4(8)5-6(9)10-3-11-7(5)12;7-3-1-4-5(8)10-11-6(4)9-2-3;7-6-2-1-5(3-8)4-9-6/h2-9,11-13H,10H2,1H3,(H,33,34)(H,37,39)(H2,31,35,36);1-9,11-12H,10H2,(H,32,34)(H,35,38)(H3,30,33,36,37);1-8,10H,9H2,(H,26,27)(H,28,29);1-6H,(H,20,21);2-3H,1H3,(H2,9,10,11);1-2H,(H3,8,9,10,11);1-2,4H,3,8H2.
What are the key properties of 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;(6-chloro-3-pyridinyl)methanamine;2-[(6-chloro-3-pyridinyl)methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-iodo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;(6-chloro-3-pyridinyl)methanamine;2-[(6-chloro-3-pyridinyl)methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-iodo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 2432.09 g/mol, XLogP of 23.00, 20 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;2-chloro-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;(6-chloro-3-pyridinyl)methanamine;2-[(6-chloro-3-pyridinyl)methylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;5-iodo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158869395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).