5-bromo-2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazole;[5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]-2-pyridinyl]methanol;5-[4-[1-[5-(6-methyl-3-pyridinyl)-4H-pyrazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-[1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutyl]-1H-pyrrolo[2,3-b]pyridine

C91H86BrN15O3S2 — CID 158764080

IUPAC5-bromo-2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazole;[5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]-2-pyridinyl]methanol;5-[4-[1-[5-(6-methyl-3-pyridinyl)-4H-pyrazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-[1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cncc(-c2ccc(C(c3ncc(-c4ccc(CO)nc4)s3)C(C)C)cc2)c1.COc1cncc(-c2ccc(C(c3ncc(Br)s3)C(C)C)cc2)c1.Cc1ccc(C2=NN=C(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)C2)cn1.c1cnc2[nH]cc(C3(c4ccc(-c5cnc6[nH]ccc6c5)cc4)CCC3)c2c1
InChIInChI=1S/C25H25N3O2S.C24H20N4.C23H22N6.C19H19BrN2OS/c1-16(2)24(25-28-14-23(31-25)19-8-9-21(15-29)27-12-19)18-6-4-17(5-7-18)20-10-22(30-3)13-26-11-20;1-3-20-21(15-28-23(20)25-11-1)24(9-2-10-24)19-6-4-16(5-7-19)18-13-17-8-12-26-22(17)27-14-18;1-15-3-4-17(12-25-15)20-11-21(29-28-20)23(9-2-10-23)19-7-5-16(6-8-19)18-13-26-22(24)27-14-18;1-12(2)18(19-22-11-17(20)24-19)14-6-4-13(5-7-14)15-8-16(23-3)10-21-9-15/h4-14,16,24,29H,15H2,1-3H3;1,3-8,11-15H,2,9-10H2,(H,25,28)(H,26,27);3-8,12-14H,2,9-11H2,1H3,(H2,24,26,27);4-12,18H,1-3H3
InChIKeyIPAQHWMUEZXDHL-UHFFFAOYSA-N
MW1581.83 g/mol
LogP21.00
Rot. Bonds19

About 5-bromo-2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazole;[5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]-2-pyridinyl]methanol;5-[4-[1-[5-(6-methyl-3-pyridinyl)-4H-pyrazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-[1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutyl]-1H-pyrrolo[2,3-b]pyridine

5-bromo-2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazole;[5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]-2-pyridinyl]methanol;5-[4-[1-[5-(6-methyl-3-pyridinyl)-4H-pyrazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-[1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158764080) has the molecular formula C91H86BrN15O3S2 and a molecular weight of 1581.83 g/mol. Its IUPAC name is 5-bromo-2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazole;[5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]-2-pyridinyl]methanol;5-[4-[1-[5-(6-methyl-3-pyridinyl)-4H-pyrazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-[1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazole;[5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]-2-pyridinyl]methanol;5-[4-[1-[5-(6-methyl-3-pyridinyl)-4H-pyrazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-[1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID158764080
Molecular FormulaC91H86BrN15O3S2
Molecular Weight1581.83 g/mol
Exact Mass1579.57
IUPAC Name5-bromo-2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazole;[5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]-2-pyridinyl]methanol;5-[4-[1-[5-(6-methyl-3-pyridinyl)-4H-pyrazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-[1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cncc(-c2ccc(C(c3ncc(-c4ccc(CO)nc4)s3)C(C)C)cc2)c1.COc1cncc(-c2ccc(C(c3ncc(Br)s3)C(C)C)cc2)c1.Cc1ccc(C2=NN=C(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)C2)cn1.c1cnc2[nH]cc(C3(c4ccc(-c5cnc6[nH]ccc6c5)cc4)CCC3)c2c1
InChIInChI=1S/C25H25N3O2S.C24H20N4.C23H22N6.C19H19BrN2OS/c1-16(2)24(25-28-14-23(31-25)19-8-9-21(15-29)27-12-19)18-6-4-17(5-7-18)20-10-22(30-3)13-26-11-20;1-3-20-21(15-28-23(20)25-11-1)24(9-2-10-24)19-6-4-16(5-7-19)18-13-17-8-12-26-22(17)27-14-18;1-15-3-4-17(12-25-15)20-11-21(29-28-20)23(9-2-10-23)19-7-5-16(6-8-19)18-13-26-22(24)27-14-18;1-12(2)18(19-22-11-17(20)24-19)14-6-4-13(5-7-14)15-8-16(23-3)10-21-9-15/h4-14,16,24,29H,15H2,1-3H3;1,3-8,11-15H,2,9-10H2,(H,25,28)(H,26,27);3-8,12-14H,2,9-11H2,1H3,(H2,24,26,27);4-12,18H,1-3H3
InChIKeyIPAQHWMUEZXDHL-UHFFFAOYSA-N
XLogP21.00
TPSA249.91 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001581.83
LogP ≤ 521.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 5-bromo-2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazole;[5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]-2-pyridinyl]methanol;5-[4-[1-[5-(6-methyl-3-pyridinyl)-4H-pyrazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-[1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutyl]-1H-pyrrolo[2,3-b]pyridine 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

4-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethyl-5-methyl-1,3-thiazol-2-amine;[3-[2-(diethylamino)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-phenylmethanol;N,N-diethyl-5-methyl-4-(5-phenoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-phenoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine
CID 157756411
1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-4-yl-2-pyridinyl)cyclobutane-1-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide
CID 158513433
4-[4-(6-acetamido-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide
CID 159117081
1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-pyridin-4-yl-2-pyridinyl)cyclobutane-1-carboxamide;N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide;N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide
CID 161231598

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazole;[5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]-2-pyridinyl]methanol;5-[4-[1-[5-(6-methyl-3-pyridinyl)-4H-pyrazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-[1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazole;[5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]-2-pyridinyl]methanol;5-[4-[1-[5-(6-methyl-3-pyridinyl)-4H-pyrazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-[1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutyl]-1H-pyrrolo[2,3-b]pyridine (CID 158764080) is 5-bromo-2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazole;[5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]-2-pyridinyl]methanol;5-[4-[1-[5-(6-methyl-3-pyridinyl)-4H-pyrazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-[1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazole;[5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]-2-pyridinyl]methanol;5-[4-[1-[5-(6-methyl-3-pyridinyl)-4H-pyrazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-[1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazole;[5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]-2-pyridinyl]methanol;5-[4-[1-[5-(6-methyl-3-pyridinyl)-4H-pyrazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-[1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutyl]-1H-pyrrolo[2,3-b]pyridine is COc1cncc(-c2ccc(C(c3ncc(-c4ccc(CO)nc4)s3)C(C)C)cc2)c1.COc1cncc(-c2ccc(C(c3ncc(Br)s3)C(C)C)cc2)c1.Cc1ccc(C2=NN=C(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)C2)cn1.c1cnc2[nH]cc(C3(c4ccc(-c5cnc6[nH]ccc6c5)cc4)CCC3)c2c1.
What is the InChIKey of 5-bromo-2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazole;[5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]-2-pyridinyl]methanol;5-[4-[1-[5-(6-methyl-3-pyridinyl)-4H-pyrazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-[1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IPAQHWMUEZXDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S.C24H20N4.C23H22N6.C19H19BrN2OS/c1-16(2)24(25-28-14-23(31-25)19-8-9-21(15-29)27-12-19)18-6-4-17(5-7-18)20-10-22(30-3)13-26-11-20;1-3-20-21(15-28-23(20)25-11-1)24(9-2-10-24)19-6-4-16(5-7-19)18-13-17-8-12-26-22(17)27-14-18;1-15-3-4-17(12-25-15)20-11-21(29-28-20)23(9-2-10-23)19-7-5-16(6-8-19)18-13-26-22(24)27-14-18;1-12(2)18(19-22-11-17(20)24-19)14-6-4-13(5-7-14)15-8-16(23-3)10-21-9-15/h4-14,16,24,29H,15H2,1-3H3;1,3-8,11-15H,2,9-10H2,(H,25,28)(H,26,27);3-8,12-14H,2,9-11H2,1H3,(H2,24,26,27);4-12,18H,1-3H3.
What are the key properties of 5-bromo-2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazole;[5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]-2-pyridinyl]methanol;5-[4-[1-[5-(6-methyl-3-pyridinyl)-4H-pyrazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-[1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutyl]-1H-pyrrolo[2,3-b]pyridine?
5-bromo-2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazole;[5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]-2-pyridinyl]methanol;5-[4-[1-[5-(6-methyl-3-pyridinyl)-4H-pyrazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-[1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1581.83 g/mol, XLogP of 21.00, 19 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazole;[5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]-2-pyridinyl]methanol;5-[4-[1-[5-(6-methyl-3-pyridinyl)-4H-pyrazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-[1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158764080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).