2-(3-methoxyazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-[1-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine

C56H62N18O3 — CID 163273788

IUPAC2-(3-methoxyazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-[1-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine
SMILESCOc1ccncc1-c1cc2c(cnn2-c2cc3c(nc(N4CCN(C)CC4)n3C)c(N3CCC(c4nc(-c5cnccc5OC)cc5c4cnn5-c4cc5c(nc(N6CC(OC)C6)n5C)c(C(C)C)n4)CC3)n2)c(C)n1
InChIInChI=1S/C56H62N18O3/c1-32(2)50-52-44(68(5)56(65-52)72-30-35(31-72)75-7)24-48(63-50)74-43-23-41(38-27-58-15-11-47(38)77-9)62-51(39(43)29-60-74)34-12-16-70(17-13-34)54-53-45(69(6)55(66-53)71-20-18-67(4)19-21-71)25-49(64-54)73-42-22-40(61-33(3)36(42)28-59-73)37-26-57-14-10-46(37)76-8/h10-11,14-15,22-29,32,34-35H,12-13,16-21,30-31H2,1-9H3
InChIKeyMOOJBTAOQNMCHD-UHFFFAOYSA-N
MW1035.23 g/mol
LogP7.26
Rot. Bonds12

About 2-(3-methoxyazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-[1-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine

2-(3-methoxyazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-[1-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine (PubChem CID 163273788) has the molecular formula C56H62N18O3 and a molecular weight of 1035.23 g/mol. Its IUPAC name is 2-(3-methoxyazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-[1-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3-methoxyazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-[1-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine
PubChem CID163273788
Molecular FormulaC56H62N18O3
Molecular Weight1035.23 g/mol
Exact Mass1034.53
IUPAC Name2-(3-methoxyazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-[1-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine
SMILESCOc1ccncc1-c1cc2c(cnn2-c2cc3c(nc(N4CCN(C)CC4)n3C)c(N3CCC(c4nc(-c5cnccc5OC)cc5c4cnn5-c4cc5c(nc(N6CC(OC)C6)n5C)c(C(C)C)n4)CC3)n2)c(C)n1
InChIInChI=1S/C56H62N18O3/c1-32(2)50-52-44(68(5)56(65-52)72-30-35(31-72)75-7)24-48(63-50)74-43-23-41(38-27-58-15-11-47(38)77-9)62-51(39(43)29-60-74)34-12-16-70(17-13-34)54-53-45(69(6)55(66-53)71-20-18-67(4)19-21-71)25-49(64-54)73-42-22-40(61-33(3)36(42)28-59-73)37-26-57-14-10-46(37)76-8/h10-11,14-15,22-29,32,34-35H,12-13,16-21,30-31H2,1-9H3
InChIKeyMOOJBTAOQNMCHD-UHFFFAOYSA-N
XLogP7.26
TPSA189.27 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001035.23
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 2-(3-methoxyazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-[1-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-[1-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 2-(3-methoxyazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-[1-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine (CID 163273788) is 2-(3-methoxyazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-[1-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3-methoxyazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-[1-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3-methoxyazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-[1-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine is COc1ccncc1-c1cc2c(cnn2-c2cc3c(nc(N4CCN(C)CC4)n3C)c(N3CCC(c4nc(-c5cnccc5OC)cc5c4cnn5-c4cc5c(nc(N6CC(OC)C6)n5C)c(C(C)C)n4)CC3)n2)c(C)n1.
What is the InChIKey of 2-(3-methoxyazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-[1-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine?
The InChIKey is MOOJBTAOQNMCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H62N18O3/c1-32(2)50-52-44(68(5)56(65-52)72-30-35(31-72)75-7)24-48(63-50)74-43-23-41(38-27-58-15-11-47(38)77-9)62-51(39(43)29-60-74)34-12-16-70(17-13-34)54-53-45(69(6)55(66-53)71-20-18-67(4)19-21-71)25-49(64-54)73-42-22-40(61-33(3)36(42)28-59-73)37-26-57-14-10-46(37)76-8/h10-11,14-15,22-29,32,34-35H,12-13,16-21,30-31H2,1-9H3.
What are the key properties of 2-(3-methoxyazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-[1-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine?
2-(3-methoxyazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-[1-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 1035.23 g/mol, XLogP of 7.26, 12 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-[1-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 163273788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).