2-[6-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one

C25H29N7O2 — CID 178070044

IUPAC2-[6-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCc1nn(C)cc1-c1cc2c(cn1)CN(c1ccc(OC3CC4(C)CCC(C)(C3)N4)nn1)C2=O
InChIInChI=1S/C25H29N7O2/c1-15-19(14-31(4)29-15)20-9-18-16(12-26-20)13-32(23(18)33)21-5-6-22(28-27-21)34-17-10-24(2)7-8-25(3,11-17)30-24/h5-6,9,12,14,17,30H,7-8,10-11,13H2,1-4H3
InChIKeyFRFMDEMMSCXSIC-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.18
Rot. Bonds4

About 2-[6-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one

2-[6-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 178070044) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-[6-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-[6-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID178070044
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Name2-[6-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCc1nn(C)cc1-c1cc2c(cn1)CN(c1ccc(OC3CC4(C)CCC(C)(C3)N4)nn1)C2=O
InChIInChI=1S/C25H29N7O2/c1-15-19(14-31(4)29-15)20-9-18-16(12-26-20)13-32(23(18)33)21-5-6-22(28-27-21)34-17-10-24(2)7-8-25(3,11-17)30-24/h5-6,9,12,14,17,30H,7-8,10-11,13H2,1-4H3
InChIKeyFRFMDEMMSCXSIC-UHFFFAOYSA-N
XLogP3.18
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[6-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 2-[6-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 178070044) is 2-[6-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2-[6-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2-[6-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one is Cc1nn(C)cc1-c1cc2c(cn1)CN(c1ccc(OC3CC4(C)CCC(C)(C3)N4)nn1)C2=O.
What is the InChIKey of 2-[6-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is FRFMDEMMSCXSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-15-19(14-31(4)29-15)20-9-18-16(12-26-20)13-32(23(18)33)21-5-6-22(28-27-21)34-17-10-24(2)7-8-25(3,11-17)30-24/h5-6,9,12,14,17,30H,7-8,10-11,13H2,1-4H3.
What are the key properties of 2-[6-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one?
2-[6-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 459.55 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 178070044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).