5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]piperazin-2-yl]-2H-indazol-5-yl]pyridin-3-ol

C46H42N16O — CID 145034423

IUPAC5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]piperazin-2-yl]-2H-indazol-5-yl]pyridin-3-ol
SMILESCN1CCN(c2nccc3[nH]c(-c4[nH]nc5c(C6CN(c7nccc8[nH]c(-c9n[nH]c%10ccc(-c%11ccncc%11)cc9%10)nc78)CCN6C)cc(-c6cncc(O)c6)cc45)nc23)CC1
InChIInChI=1S/C46H42N16O/c1-59-13-16-61(17-14-59)45-41-35(7-11-49-45)52-44(53-41)40-33-22-28(29-19-30(63)24-48-23-29)21-32(38(33)56-58-40)37-25-62(18-15-60(37)2)46-42-36(8-12-50-46)51-43(54-42)39-31-20-27(3-4-34(31)55-57-39)26-5-9-47-10-6-26/h3-12,19-24,37,63H,13-18,25H2,1-2H3,(H,51,54)(H,52,53)(H,55,57)(H,56,58)
InChIKeyUDUVFXKNGWGLSL-UHFFFAOYSA-N
MW834.95 g/mol
LogP6.39
Rot. Bonds7

About 5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]piperazin-2-yl]-2H-indazol-5-yl]pyridin-3-ol

5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]piperazin-2-yl]-2H-indazol-5-yl]pyridin-3-ol (PubChem CID 145034423) has the molecular formula C46H42N16O and a molecular weight of 834.95 g/mol. Its IUPAC name is 5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]piperazin-2-yl]-2H-indazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]piperazin-2-yl]-2H-indazol-5-yl]pyridin-3-ol
PubChem CID145034423
Molecular FormulaC46H42N16O
Molecular Weight834.95 g/mol
Exact Mass834.37
IUPAC Name5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]piperazin-2-yl]-2H-indazol-5-yl]pyridin-3-ol
SMILESCN1CCN(c2nccc3[nH]c(-c4[nH]nc5c(C6CN(c7nccc8[nH]c(-c9n[nH]c%10ccc(-c%11ccncc%11)cc9%10)nc78)CCN6C)cc(-c6cncc(O)c6)cc45)nc23)CC1
InChIInChI=1S/C46H42N16O/c1-59-13-16-61(17-14-59)45-41-35(7-11-49-45)52-44(53-41)40-33-22-28(29-19-30(63)24-48-23-29)21-32(38(33)56-58-40)37-25-62(18-15-60(37)2)46-42-36(8-12-50-46)51-43(54-42)39-31-20-27(3-4-34(31)55-57-39)26-5-9-47-10-6-26/h3-12,19-24,37,63H,13-18,25H2,1-2H3,(H,51,54)(H,52,53)(H,55,57)(H,56,58)
InChIKeyUDUVFXKNGWGLSL-UHFFFAOYSA-N
XLogP6.39
TPSA199.47 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500834.95
LogP ≤ 56.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]piperazin-2-yl]-2H-indazol-5-yl]pyridin-3-ol with MolForge

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Related Compounds

5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
CID 136937840
5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137042454
5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137088467
5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137109972
5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridin-3-ol
CID 145996004
5-(3-(1H-Benzo[D]imidazol-2-YL)-1H-indazol-5-YL)-4-methylpyridin-3-OL
CID 135484456
5-Ethyl-2-fluoro-4-{3-[5-(3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl}-phenol
CID 136263980
4-(4-fluorophenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136936764
5-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
CID 136936767
5-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
CID 136936782
4-(2-fluorophenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136936789
N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 136937010

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]piperazin-2-yl]-2H-indazol-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]piperazin-2-yl]-2H-indazol-5-yl]pyridin-3-ol (CID 145034423) is 5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]piperazin-2-yl]-2H-indazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]piperazin-2-yl]-2H-indazol-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]piperazin-2-yl]-2H-indazol-5-yl]pyridin-3-ol is CN1CCN(c2nccc3[nH]c(-c4[nH]nc5c(C6CN(c7nccc8[nH]c(-c9n[nH]c%10ccc(-c%11ccncc%11)cc9%10)nc78)CCN6C)cc(-c6cncc(O)c6)cc45)nc23)CC1.
What is the InChIKey of 5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]piperazin-2-yl]-2H-indazol-5-yl]pyridin-3-ol?
The InChIKey is UDUVFXKNGWGLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H42N16O/c1-59-13-16-61(17-14-59)45-41-35(7-11-49-45)52-44(53-41)40-33-22-28(29-19-30(63)24-48-23-29)21-32(38(33)56-58-40)37-25-62(18-15-60(37)2)46-42-36(8-12-50-46)51-43(54-42)39-31-20-27(3-4-34(31)55-57-39)26-5-9-47-10-6-26/h3-12,19-24,37,63H,13-18,25H2,1-2H3,(H,51,54)(H,52,53)(H,55,57)(H,56,58).
What are the key properties of 5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]piperazin-2-yl]-2H-indazol-5-yl]pyridin-3-ol?
5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]piperazin-2-yl]-2H-indazol-5-yl]pyridin-3-ol has a molecular weight of 834.95 g/mol, XLogP of 6.39, 7 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]piperazin-2-yl]-2H-indazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 145034423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).