bis(1-(6-amino-3-pyridinyl)azetidin-3-ol);azetidin-3-ol;5-bromo-2-nitropyridine;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]azetidin-3-ol;1-(6-nitro-3-pyridinyl)azetidin-3-ol;hydrochloride

C83H95BrCl2F4N30O13 — CID 158370135

IUPACbis(1-(6-amino-3-pyridinyl)azetidin-3-ol);azetidin-3-ol;5-bromo-2-nitropyridine;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]azetidin-3-ol;1-(6-nitro-3-pyridinyl)azetidin-3-ol;hydrochloride
SMILESCOc1c(Nc2cc(Cc3ccc(N4CC(O)C4)cn3)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1nnn(C)n1.COc1c(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1nnn(C)n1.Cl.Nc1ccc(N2CC(O)C2)cn1.Nc1ccc(N2CC(O)C2)cn1.O=[N+]([O-])c1ccc(Br)cn1.O=[N+]([O-])c1ccc(N2CC(O)C2)cn1.OC1CNC1
InChIInChI=1S/C30H32F2N10O3.C21H21ClF2N8O2.C8H9N3O3.2C8H11N3O.C5H3BrN2O2.C3H7NO.ClH/c1-40-38-28(37-39-40)21-6-5-7-22(26(21)44-2)35-23-13-18(12-17-9-10-19(14-33-17)41-15-20(43)16-41)34-29-25(23)36-30(27(31)32)42(29)24-8-3-4-11-45-24;1-31-29-19(28-30-31)11-6-5-7-12(17(11)33-2)25-13-10-14(22)26-20-16(13)27-21(18(23)24)32(20)15-8-3-4-9-34-15;12-7-4-10(5-7)6-1-2-8(9-3-6)11(13)14;2*9-8-2-1-6(3-10-8)11-4-7(12)5-11;6-4-1-2-5(7-3-4)8(9)10;5-3-1-4-2-3;/h5-7,9-10,13-14,20,24,27,43H,3-4,8,11-12,15-16H2,1-2H3,(H,34,35);5-7,10,15,18H,3-4,8-9H2,1-2H3,(H,25,26);1-3,7,12H,4-5H2;2*1-3,7,12H,4-5H2,(H2,9,10);1-3H;3-5H,1-2H2;1H
InChIKeyYTAUFJBLMIVSBJ-UHFFFAOYSA-N
MW1947.67 g/mol
LogP9.83
Rot. Bonds20

About bis(1-(6-amino-3-pyridinyl)azetidin-3-ol);azetidin-3-ol;5-bromo-2-nitropyridine;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]azetidin-3-ol;1-(6-nitro-3-pyridinyl)azetidin-3-ol;hydrochloride

bis(1-(6-amino-3-pyridinyl)azetidin-3-ol);azetidin-3-ol;5-bromo-2-nitropyridine;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]azetidin-3-ol;1-(6-nitro-3-pyridinyl)azetidin-3-ol;hydrochloride (PubChem CID 158370135) has the molecular formula C83H95BrCl2F4N30O13 and a molecular weight of 1947.67 g/mol. Its IUPAC name is bis(1-(6-amino-3-pyridinyl)azetidin-3-ol);azetidin-3-ol;5-bromo-2-nitropyridine;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]azetidin-3-ol;1-(6-nitro-3-pyridinyl)azetidin-3-ol;hydrochloride.

Molecular Properties

Compound Namebis(1-(6-amino-3-pyridinyl)azetidin-3-ol);azetidin-3-ol;5-bromo-2-nitropyridine;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]azetidin-3-ol;1-(6-nitro-3-pyridinyl)azetidin-3-ol;hydrochloride
PubChem CID158370135
Molecular FormulaC83H95BrCl2F4N30O13
Molecular Weight1947.67 g/mol
Exact Mass1944.62
IUPAC Namebis(1-(6-amino-3-pyridinyl)azetidin-3-ol);azetidin-3-ol;5-bromo-2-nitropyridine;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]azetidin-3-ol;1-(6-nitro-3-pyridinyl)azetidin-3-ol;hydrochloride
SMILESCOc1c(Nc2cc(Cc3ccc(N4CC(O)C4)cn3)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1nnn(C)n1.COc1c(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1nnn(C)n1.Cl.Nc1ccc(N2CC(O)C2)cn1.Nc1ccc(N2CC(O)C2)cn1.O=[N+]([O-])c1ccc(Br)cn1.O=[N+]([O-])c1ccc(N2CC(O)C2)cn1.OC1CNC1
InChIInChI=1S/C30H32F2N10O3.C21H21ClF2N8O2.C8H9N3O3.2C8H11N3O.C5H3BrN2O2.C3H7NO.ClH/c1-40-38-28(37-39-40)21-6-5-7-22(26(21)44-2)35-23-13-18(12-17-9-10-19(14-33-17)41-15-20(43)16-41)34-29-25(23)36-30(27(31)32)42(29)24-8-3-4-11-45-24;1-31-29-19(28-30-31)11-6-5-7-12(17(11)33-2)25-13-10-14(22)26-20-16(13)27-21(18(23)24)32(20)15-8-3-4-9-34-15;12-7-4-10(5-7)6-1-2-8(9-3-6)11(13)14;2*9-8-2-1-6(3-10-8)11-4-7(12)5-11;6-4-1-2-5(7-3-4)8(9)10;5-3-1-4-2-3;/h5-7,9-10,13-14,20,24,27,43H,3-4,8,11-12,15-16H2,1-2H3,(H,34,35);5-7,10,15,18H,3-4,8-9H2,1-2H3,(H,25,26);1-3,7,12H,4-5H2;2*1-3,7,12H,4-5H2,(H2,9,10);1-3H;3-5H,1-2H2;1H
InChIKeyYTAUFJBLMIVSBJ-UHFFFAOYSA-N
XLogP9.83
TPSA538.51 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds20
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001947.67
LogP ≤ 59.83
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

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 bis(1-(6-amino-3-pyridinyl)azetidin-3-ol);azetidin-3-ol;5-bromo-2-nitropyridine;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]azetidin-3-ol;1-(6-nitro-3-pyridinyl)azetidin-3-ol;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-(6-amino-3-pyridinyl)azetidin-3-ol);azetidin-3-ol;5-bromo-2-nitropyridine;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]azetidin-3-ol;1-(6-nitro-3-pyridinyl)azetidin-3-ol;hydrochloride?
The IUPAC name of bis(1-(6-amino-3-pyridinyl)azetidin-3-ol);azetidin-3-ol;5-bromo-2-nitropyridine;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]azetidin-3-ol;1-(6-nitro-3-pyridinyl)azetidin-3-ol;hydrochloride (CID 158370135) is bis(1-(6-amino-3-pyridinyl)azetidin-3-ol);azetidin-3-ol;5-bromo-2-nitropyridine;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]azetidin-3-ol;1-(6-nitro-3-pyridinyl)azetidin-3-ol;hydrochloride.
What is the SMILES notation for bis(1-(6-amino-3-pyridinyl)azetidin-3-ol);azetidin-3-ol;5-bromo-2-nitropyridine;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]azetidin-3-ol;1-(6-nitro-3-pyridinyl)azetidin-3-ol;hydrochloride?
The canonical SMILES for bis(1-(6-amino-3-pyridinyl)azetidin-3-ol);azetidin-3-ol;5-bromo-2-nitropyridine;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]azetidin-3-ol;1-(6-nitro-3-pyridinyl)azetidin-3-ol;hydrochloride is COc1c(Nc2cc(Cc3ccc(N4CC(O)C4)cn3)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1nnn(C)n1.COc1c(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1nnn(C)n1.Cl.Nc1ccc(N2CC(O)C2)cn1.Nc1ccc(N2CC(O)C2)cn1.O=[N+]([O-])c1ccc(Br)cn1.O=[N+]([O-])c1ccc(N2CC(O)C2)cn1.OC1CNC1.
What is the InChIKey of bis(1-(6-amino-3-pyridinyl)azetidin-3-ol);azetidin-3-ol;5-bromo-2-nitropyridine;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]azetidin-3-ol;1-(6-nitro-3-pyridinyl)azetidin-3-ol;hydrochloride?
The InChIKey is YTAUFJBLMIVSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N10O3.C21H21ClF2N8O2.C8H9N3O3.2C8H11N3O.C5H3BrN2O2.C3H7NO.ClH/c1-40-38-28(37-39-40)21-6-5-7-22(26(21)44-2)35-23-13-18(12-17-9-10-19(14-33-17)41-15-20(43)16-41)34-29-25(23)36-30(27(31)32)42(29)24-8-3-4-11-45-24;1-31-29-19(28-30-31)11-6-5-7-12(17(11)33-2)25-13-10-14(22)26-20-16(13)27-21(18(23)24)32(20)15-8-3-4-9-34-15;12-7-4-10(5-7)6-1-2-8(9-3-6)11(13)14;2*9-8-2-1-6(3-10-8)11-4-7(12)5-11;6-4-1-2-5(7-3-4)8(9)10;5-3-1-4-2-3;/h5-7,9-10,13-14,20,24,27,43H,3-4,8,11-12,15-16H2,1-2H3,(H,34,35);5-7,10,15,18H,3-4,8-9H2,1-2H3,(H,25,26);1-3,7,12H,4-5H2;2*1-3,7,12H,4-5H2,(H2,9,10);1-3H;3-5H,1-2H2;1H.
What are the key properties of bis(1-(6-amino-3-pyridinyl)azetidin-3-ol);azetidin-3-ol;5-bromo-2-nitropyridine;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]azetidin-3-ol;1-(6-nitro-3-pyridinyl)azetidin-3-ol;hydrochloride?
bis(1-(6-amino-3-pyridinyl)azetidin-3-ol);azetidin-3-ol;5-bromo-2-nitropyridine;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]azetidin-3-ol;1-(6-nitro-3-pyridinyl)azetidin-3-ol;hydrochloride has a molecular weight of 1947.67 g/mol, XLogP of 9.83, 20 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(6-amino-3-pyridinyl)azetidin-3-ol);azetidin-3-ol;5-bromo-2-nitropyridine;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]methyl]-3-pyridinyl]azetidin-3-ol;1-(6-nitro-3-pyridinyl)azetidin-3-ol;hydrochloride is sourced from PubChem (CID 158370135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).