5-[(2R)-2-aminobutoxy]-N-[(4-phenylphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;(2R)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S,3R)-2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]butane-1,3-diol;(2S)-3-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,2-diol

C127H151N27O7 — CID 158953512

IUPAC5-[(2R)-2-aminobutoxy]-N-[(4-phenylphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;(2R)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S,3R)-2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]butane-1,3-diol;(2S)-3-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,2-diol
SMILESCC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)cc(NC[C@H](O)CO)nc21.CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)cc(N[C@@H](CO)[C@@H](C)O)nc21.CC[C@@H](CO)Nc1cc(NCc2ccc(-c3ccccc3)cc2)c2ncn(C(C)C)c2n1.CC[C@@H](N)COc1cc(NCc2ccc(-c3ccccc3)cc2)c2ncn(C(C)C)c2n1.CC[C@H](CO)Nc1cc(NCc2ccc(-c3ccccc3)cc2)c2ncn(C(C)C)c2n1
InChIInChI=1S/3C26H31N5O.C25H30N6O2.C24H28N6O2/c1-4-22(27)16-32-24-14-23(25-26(30-24)31(17-29-25)18(2)3)28-15-19-10-12-21(13-11-19)20-8-6-5-7-9-20;2*1-4-22(16-32)29-24-14-23(25-26(30-24)31(17-28-25)18(2)3)27-15-19-10-12-21(13-11-19)20-8-6-5-7-9-20;1-16(2)31-15-28-24-21(12-23(30-25(24)31)29-22(14-32)17(3)33)27-13-18-7-9-19(10-8-18)20-6-4-5-11-26-20;1-16(2)30-15-28-23-21(11-22(29-24(23)30)27-13-19(32)14-31)26-12-17-6-8-18(9-7-17)20-5-3-4-10-25-20/h5-14,17-18,22H,4,15-16,27H2,1-3H3,(H,28,30);2*5-14,17-18,22,32H,4,15-16H2,1-3H3,(H2,27,29,30);4-12,15-17,22,32-33H,13-14H2,1-3H3,(H2,27,29,30);3-11,15-16,19,31-32H,12-14H2,1-2H3,(H2,26,27,29)/t3*22-;17-,22+;19-/m11010/s1
InChIKeyJLSJDWHWKPMXMF-DBIKCKNESA-N
MW2167.79 g/mol
LogP23.65
Rot. Bonds45

About 5-[(2R)-2-aminobutoxy]-N-[(4-phenylphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;(2R)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S,3R)-2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]butane-1,3-diol;(2S)-3-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,2-diol

5-[(2R)-2-aminobutoxy]-N-[(4-phenylphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;(2R)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S,3R)-2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]butane-1,3-diol;(2S)-3-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,2-diol (PubChem CID 158953512) has the molecular formula C127H151N27O7 and a molecular weight of 2167.79 g/mol. Its IUPAC name is 5-[(2R)-2-aminobutoxy]-N-[(4-phenylphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;(2R)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S,3R)-2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]butane-1,3-diol;(2S)-3-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name5-[(2R)-2-aminobutoxy]-N-[(4-phenylphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;(2R)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S,3R)-2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]butane-1,3-diol;(2S)-3-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,2-diol
PubChem CID158953512
Molecular FormulaC127H151N27O7
Molecular Weight2167.79 g/mol
Exact Mass2166.23
IUPAC Name5-[(2R)-2-aminobutoxy]-N-[(4-phenylphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;(2R)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S,3R)-2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]butane-1,3-diol;(2S)-3-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,2-diol
SMILESCC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)cc(NC[C@H](O)CO)nc21.CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)cc(N[C@@H](CO)[C@@H](C)O)nc21.CC[C@@H](CO)Nc1cc(NCc2ccc(-c3ccccc3)cc2)c2ncn(C(C)C)c2n1.CC[C@@H](N)COc1cc(NCc2ccc(-c3ccccc3)cc2)c2ncn(C(C)C)c2n1.CC[C@H](CO)Nc1cc(NCc2ccc(-c3ccccc3)cc2)c2ncn(C(C)C)c2n1
InChIInChI=1S/3C26H31N5O.C25H30N6O2.C24H28N6O2/c1-4-22(27)16-32-24-14-23(25-26(30-24)31(17-29-25)18(2)3)28-15-19-10-12-21(13-11-19)20-8-6-5-7-9-20;2*1-4-22(16-32)29-24-14-23(25-26(30-24)31(17-28-25)18(2)3)27-15-19-10-12-21(13-11-19)20-8-6-5-7-9-20;1-16(2)31-15-28-24-21(12-23(30-25(24)31)29-22(14-32)17(3)33)27-13-18-7-9-19(10-8-18)20-6-4-5-11-26-20;1-16(2)30-15-28-23-21(11-22(29-24(23)30)27-13-19(32)14-31)26-12-17-6-8-18(9-7-17)20-5-3-4-10-25-20/h5-14,17-18,22H,4,15-16,27H2,1-3H3,(H,28,30);2*5-14,17-18,22,32H,4,15-16H2,1-3H3,(H2,27,29,30);4-12,15-17,22,32-33H,13-14H2,1-3H3,(H2,27,29,30);3-11,15-16,19,31-32H,12-14H2,1-2H3,(H2,26,27,29)/t3*22-;17-,22+;19-/m11010/s1
InChIKeyJLSJDWHWKPMXMF-DBIKCKNESA-N
XLogP23.65
TPSA444.23 Ų
H-Bond Donors16
H-Bond Acceptors34
Rotatable Bonds45
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002167.79
LogP ≤ 523.65
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1034

Analyze 5-[(2R)-2-aminobutoxy]-N-[(4-phenylphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;(2R)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S,3R)-2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]butane-1,3-diol;(2S)-3-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-aminobutoxy]-N-[(4-phenylphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;(2R)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S,3R)-2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]butane-1,3-diol;(2S)-3-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,2-diol?
The IUPAC name of 5-[(2R)-2-aminobutoxy]-N-[(4-phenylphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;(2R)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S,3R)-2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]butane-1,3-diol;(2S)-3-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,2-diol (CID 158953512) is 5-[(2R)-2-aminobutoxy]-N-[(4-phenylphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;(2R)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S,3R)-2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]butane-1,3-diol;(2S)-3-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,2-diol.
What is the SMILES notation for 5-[(2R)-2-aminobutoxy]-N-[(4-phenylphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;(2R)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S,3R)-2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]butane-1,3-diol;(2S)-3-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,2-diol?
The canonical SMILES for 5-[(2R)-2-aminobutoxy]-N-[(4-phenylphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;(2R)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S,3R)-2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]butane-1,3-diol;(2S)-3-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,2-diol is CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)cc(NC[C@H](O)CO)nc21.CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)cc(N[C@@H](CO)[C@@H](C)O)nc21.CC[C@@H](CO)Nc1cc(NCc2ccc(-c3ccccc3)cc2)c2ncn(C(C)C)c2n1.CC[C@@H](N)COc1cc(NCc2ccc(-c3ccccc3)cc2)c2ncn(C(C)C)c2n1.CC[C@H](CO)Nc1cc(NCc2ccc(-c3ccccc3)cc2)c2ncn(C(C)C)c2n1.
What is the InChIKey of 5-[(2R)-2-aminobutoxy]-N-[(4-phenylphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;(2R)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S,3R)-2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]butane-1,3-diol;(2S)-3-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,2-diol?
The InChIKey is JLSJDWHWKPMXMF-DBIKCKNESA-N. The full InChI is InChI=1S/3C26H31N5O.C25H30N6O2.C24H28N6O2/c1-4-22(27)16-32-24-14-23(25-26(30-24)31(17-29-25)18(2)3)28-15-19-10-12-21(13-11-19)20-8-6-5-7-9-20;2*1-4-22(16-32)29-24-14-23(25-26(30-24)31(17-28-25)18(2)3)27-15-19-10-12-21(13-11-19)20-8-6-5-7-9-20;1-16(2)31-15-28-24-21(12-23(30-25(24)31)29-22(14-32)17(3)33)27-13-18-7-9-19(10-8-18)20-6-4-5-11-26-20;1-16(2)30-15-28-23-21(11-22(29-24(23)30)27-13-19(32)14-31)26-12-17-6-8-18(9-7-17)20-5-3-4-10-25-20/h5-14,17-18,22H,4,15-16,27H2,1-3H3,(H,28,30);2*5-14,17-18,22,32H,4,15-16H2,1-3H3,(H2,27,29,30);4-12,15-17,22,32-33H,13-14H2,1-3H3,(H2,27,29,30);3-11,15-16,19,31-32H,12-14H2,1-2H3,(H2,26,27,29)/t3*22-;17-,22+;19-/m11010/s1.
What are the key properties of 5-[(2R)-2-aminobutoxy]-N-[(4-phenylphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;(2R)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S,3R)-2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]butane-1,3-diol;(2S)-3-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,2-diol?
5-[(2R)-2-aminobutoxy]-N-[(4-phenylphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;(2R)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S,3R)-2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]butane-1,3-diol;(2S)-3-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,2-diol has a molecular weight of 2167.79 g/mol, XLogP of 23.65, 45 rotatable bonds, 16 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-aminobutoxy]-N-[(4-phenylphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;(2R)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S,3R)-2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]butane-1,3-diol;(2S)-3-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,2-diol is sourced from PubChem (CID 158953512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).