2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(3R)-oxolan-3-yl]oxyimidazo[4,5-c]pyridine

C31H37N9O4 — CID 163273563

IUPAC2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(3R)-oxolan-3-yl]oxyimidazo[4,5-c]pyridine
SMILESCOCCN1CCN(c2nc3c(O[C@@H]4CCOC4)nc(-n4ncc5c(C)nc(-c6cnccc6OC)cc54)cc3n2C)CC1
InChIInChI=1S/C31H37N9O4/c1-20-22-18-33-40(25(22)15-24(34-20)23-17-32-7-5-27(23)42-4)28-16-26-29(30(35-28)44-21-6-13-43-19-21)36-31(37(26)2)39-10-8-38(9-11-39)12-14-41-3/h5,7,15-18,21H,6,8-14,19H2,1-4H3/t21-/m1/s1
InChIKeyXHDMFTDBOMEZRV-OAQYLSRUSA-N
MW599.70 g/mol
LogP3.02
Rot. Bonds9

About 2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(3R)-oxolan-3-yl]oxyimidazo[4,5-c]pyridine

2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(3R)-oxolan-3-yl]oxyimidazo[4,5-c]pyridine (PubChem CID 163273563) has the molecular formula C31H37N9O4 and a molecular weight of 599.70 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(3R)-oxolan-3-yl]oxyimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(3R)-oxolan-3-yl]oxyimidazo[4,5-c]pyridine
PubChem CID163273563
Molecular FormulaC31H37N9O4
Molecular Weight599.70 g/mol
Exact Mass599.30
IUPAC Name2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(3R)-oxolan-3-yl]oxyimidazo[4,5-c]pyridine
SMILESCOCCN1CCN(c2nc3c(O[C@@H]4CCOC4)nc(-n4ncc5c(C)nc(-c6cnccc6OC)cc54)cc3n2C)CC1
InChIInChI=1S/C31H37N9O4/c1-20-22-18-33-40(25(22)15-24(34-20)23-17-32-7-5-27(23)42-4)28-16-26-29(30(35-28)44-21-6-13-43-19-21)36-31(37(26)2)39-10-8-38(9-11-39)12-14-41-3/h5,7,15-18,21H,6,8-14,19H2,1-4H3/t21-/m1/s1
InChIKeyXHDMFTDBOMEZRV-OAQYLSRUSA-N
XLogP3.02
TPSA117.71 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.70
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(3R)-oxolan-3-yl]oxyimidazo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(3R)-oxolan-3-yl]oxyimidazo[4,5-c]pyridine?
The IUPAC name of 2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(3R)-oxolan-3-yl]oxyimidazo[4,5-c]pyridine (CID 163273563) is 2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(3R)-oxolan-3-yl]oxyimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(3R)-oxolan-3-yl]oxyimidazo[4,5-c]pyridine?
The canonical SMILES for 2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(3R)-oxolan-3-yl]oxyimidazo[4,5-c]pyridine is COCCN1CCN(c2nc3c(O[C@@H]4CCOC4)nc(-n4ncc5c(C)nc(-c6cnccc6OC)cc54)cc3n2C)CC1.
What is the InChIKey of 2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(3R)-oxolan-3-yl]oxyimidazo[4,5-c]pyridine?
The InChIKey is XHDMFTDBOMEZRV-OAQYLSRUSA-N. The full InChI is InChI=1S/C31H37N9O4/c1-20-22-18-33-40(25(22)15-24(34-20)23-17-32-7-5-27(23)42-4)28-16-26-29(30(35-28)44-21-6-13-43-19-21)36-31(37(26)2)39-10-8-38(9-11-39)12-14-41-3/h5,7,15-18,21H,6,8-14,19H2,1-4H3/t21-/m1/s1.
What are the key properties of 2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(3R)-oxolan-3-yl]oxyimidazo[4,5-c]pyridine?
2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(3R)-oxolan-3-yl]oxyimidazo[4,5-c]pyridine has a molecular weight of 599.70 g/mol, XLogP of 3.02, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-[(3R)-oxolan-3-yl]oxyimidazo[4,5-c]pyridine is sourced from PubChem (CID 163273563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).