5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;bis(5,7-dichloro-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridine);5,7-dichloro-2-(phenylmethoxymethyl)-1H-imidazo[4,5-b]pyridine;4,6-dichloropyridine-2,3-diamine;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline

C101H107Cl9N24O10 — CID 158315560

IUPAC5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;bis(5,7-dichloro-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridine);5,7-dichloro-2-(phenylmethoxymethyl)-1H-imidazo[4,5-b]pyridine;4,6-dichloropyridine-2,3-diamine;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline
SMILESC.COc1c(N)cccc1-c1ncn(C)n1.COc1c(Nc2cc(Cl)nc3c2nc(COCc2ccccc2)n3C2CCCCO2)cccc1-c1ncn(C)n1.Clc1cc(Cl)c2[nH]c(COCc3ccccc3)nc2n1.Clc1cc(Cl)c2nc(COCc3ccccc3)n(C3CCCCO3)c2n1.Clc1cc(Cl)c2nc(COCc3ccccc3)n(C3CCCCO3)c2n1.NC(=O)C1CC1.Nc1nc(Cl)cc(Cl)c1N
InChIInChI=1S/C29H30ClN7O3.2C19H19Cl2N3O2.C14H11Cl2N3O.C10H12N4O.C5H5Cl2N3.C4H7NO.CH4/c1-36-18-31-28(35-36)20-11-8-12-21(27(20)38-2)32-22-15-23(30)33-29-26(22)34-24(37(29)25-13-6-7-14-40-25)17-39-16-19-9-4-3-5-10-19;2*20-14-10-15(21)22-19-18(14)23-16(24(19)17-8-4-5-9-26-17)12-25-11-13-6-2-1-3-7-13;15-10-6-11(16)17-14-13(10)18-12(19-14)8-20-7-9-4-2-1-3-5-9;1-14-6-12-10(13-14)7-4-3-5-8(11)9(7)15-2;6-2-1-3(7)10-5(9)4(2)8;5-4(6)3-1-2-3;/h3-5,8-12,15,18,25H,6-7,13-14,16-17H2,1-2H3,(H,32,33);2*1-3,6-7,10,17H,4-5,8-9,11-12H2;1-6H,7-8H2,(H,17,18,19);3-6H,11H2,1-2H3;1H,8H2,(H2,9,10);3H,1-2H2,(H2,5,6);1H4
InChIKeyGOFIAESXGNVIQP-UHFFFAOYSA-N
MW2136.20 g/mol
LogP23.48
Rot. Bonds26

About 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;bis(5,7-dichloro-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridine);5,7-dichloro-2-(phenylmethoxymethyl)-1H-imidazo[4,5-b]pyridine;4,6-dichloropyridine-2,3-diamine;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline

5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;bis(5,7-dichloro-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridine);5,7-dichloro-2-(phenylmethoxymethyl)-1H-imidazo[4,5-b]pyridine;4,6-dichloropyridine-2,3-diamine;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 158315560) has the molecular formula C101H107Cl9N24O10 and a molecular weight of 2136.20 g/mol. Its IUPAC name is 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;bis(5,7-dichloro-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridine);5,7-dichloro-2-(phenylmethoxymethyl)-1H-imidazo[4,5-b]pyridine;4,6-dichloropyridine-2,3-diamine;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;bis(5,7-dichloro-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridine);5,7-dichloro-2-(phenylmethoxymethyl)-1H-imidazo[4,5-b]pyridine;4,6-dichloropyridine-2,3-diamine;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline
PubChem CID158315560
Molecular FormulaC101H107Cl9N24O10
Molecular Weight2136.20 g/mol
Exact Mass2130.58
IUPAC Name5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;bis(5,7-dichloro-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridine);5,7-dichloro-2-(phenylmethoxymethyl)-1H-imidazo[4,5-b]pyridine;4,6-dichloropyridine-2,3-diamine;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline
SMILESC.COc1c(N)cccc1-c1ncn(C)n1.COc1c(Nc2cc(Cl)nc3c2nc(COCc2ccccc2)n3C2CCCCO2)cccc1-c1ncn(C)n1.Clc1cc(Cl)c2[nH]c(COCc3ccccc3)nc2n1.Clc1cc(Cl)c2nc(COCc3ccccc3)n(C3CCCCO3)c2n1.Clc1cc(Cl)c2nc(COCc3ccccc3)n(C3CCCCO3)c2n1.NC(=O)C1CC1.Nc1nc(Cl)cc(Cl)c1N
InChIInChI=1S/C29H30ClN7O3.2C19H19Cl2N3O2.C14H11Cl2N3O.C10H12N4O.C5H5Cl2N3.C4H7NO.CH4/c1-36-18-31-28(35-36)20-11-8-12-21(27(20)38-2)32-22-15-23(30)33-29-26(22)34-24(37(29)25-13-6-7-14-40-25)17-39-16-19-9-4-3-5-10-19;2*20-14-10-15(21)22-19-18(14)23-16(24(19)17-8-4-5-9-26-17)12-25-11-13-6-2-1-3-7-13;15-10-6-11(16)17-14-13(10)18-12(19-14)8-20-7-9-4-2-1-3-5-9;1-14-6-12-10(13-14)7-4-3-5-8(11)9(7)15-2;6-2-1-3(7)10-5(9)4(2)8;5-4(6)3-1-2-3;/h3-5,8-12,15,18,25H,6-7,13-14,16-17H2,1-2H3,(H,32,33);2*1-3,6-7,10,17H,4-5,8-9,11-12H2;1-6H,7-8H2,(H,17,18,19);3-6H,11H2,1-2H3;1H,8H2,(H2,9,10);3H,1-2H2,(H2,5,6);1H4
InChIKeyGOFIAESXGNVIQP-UHFFFAOYSA-N
XLogP23.48
TPSA424.26 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds26
Heavy Atoms144
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002136.20
LogP ≤ 523.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;bis(5,7-dichloro-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridine);5,7-dichloro-2-(phenylmethoxymethyl)-1H-imidazo[4,5-b]pyridine;4,6-dichloropyridine-2,3-diamine;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;bis(5,7-dichloro-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridine);5,7-dichloro-2-(phenylmethoxymethyl)-1H-imidazo[4,5-b]pyridine;4,6-dichloropyridine-2,3-diamine;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;bis(5,7-dichloro-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridine);5,7-dichloro-2-(phenylmethoxymethyl)-1H-imidazo[4,5-b]pyridine;4,6-dichloropyridine-2,3-diamine;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline (CID 158315560) is 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;bis(5,7-dichloro-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridine);5,7-dichloro-2-(phenylmethoxymethyl)-1H-imidazo[4,5-b]pyridine;4,6-dichloropyridine-2,3-diamine;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;bis(5,7-dichloro-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridine);5,7-dichloro-2-(phenylmethoxymethyl)-1H-imidazo[4,5-b]pyridine;4,6-dichloropyridine-2,3-diamine;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;bis(5,7-dichloro-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridine);5,7-dichloro-2-(phenylmethoxymethyl)-1H-imidazo[4,5-b]pyridine;4,6-dichloropyridine-2,3-diamine;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline is C.COc1c(N)cccc1-c1ncn(C)n1.COc1c(Nc2cc(Cl)nc3c2nc(COCc2ccccc2)n3C2CCCCO2)cccc1-c1ncn(C)n1.Clc1cc(Cl)c2[nH]c(COCc3ccccc3)nc2n1.Clc1cc(Cl)c2nc(COCc3ccccc3)n(C3CCCCO3)c2n1.Clc1cc(Cl)c2nc(COCc3ccccc3)n(C3CCCCO3)c2n1.NC(=O)C1CC1.Nc1nc(Cl)cc(Cl)c1N.
What is the InChIKey of 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;bis(5,7-dichloro-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridine);5,7-dichloro-2-(phenylmethoxymethyl)-1H-imidazo[4,5-b]pyridine;4,6-dichloropyridine-2,3-diamine;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is GOFIAESXGNVIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN7O3.2C19H19Cl2N3O2.C14H11Cl2N3O.C10H12N4O.C5H5Cl2N3.C4H7NO.CH4/c1-36-18-31-28(35-36)20-11-8-12-21(27(20)38-2)32-22-15-23(30)33-29-26(22)34-24(37(29)25-13-6-7-14-40-25)17-39-16-19-9-4-3-5-10-19;2*20-14-10-15(21)22-19-18(14)23-16(24(19)17-8-4-5-9-26-17)12-25-11-13-6-2-1-3-7-13;15-10-6-11(16)17-14-13(10)18-12(19-14)8-20-7-9-4-2-1-3-5-9;1-14-6-12-10(13-14)7-4-3-5-8(11)9(7)15-2;6-2-1-3(7)10-5(9)4(2)8;5-4(6)3-1-2-3;/h3-5,8-12,15,18,25H,6-7,13-14,16-17H2,1-2H3,(H,32,33);2*1-3,6-7,10,17H,4-5,8-9,11-12H2;1-6H,7-8H2,(H,17,18,19);3-6H,11H2,1-2H3;1H,8H2,(H2,9,10);3H,1-2H2,(H2,5,6);1H4.
What are the key properties of 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;bis(5,7-dichloro-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridine);5,7-dichloro-2-(phenylmethoxymethyl)-1H-imidazo[4,5-b]pyridine;4,6-dichloropyridine-2,3-diamine;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline?
5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;bis(5,7-dichloro-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridine);5,7-dichloro-2-(phenylmethoxymethyl)-1H-imidazo[4,5-b]pyridine;4,6-dichloropyridine-2,3-diamine;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 2136.20 g/mol, XLogP of 23.48, 26 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;bis(5,7-dichloro-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridine);5,7-dichloro-2-(phenylmethoxymethyl)-1H-imidazo[4,5-b]pyridine;4,6-dichloropyridine-2,3-diamine;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 158315560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).