6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine

C24H23FN6O — CID 68519598

IUPAC6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine
SMILESCOc1cc(-c2c(-c3ccc(F)cc3)nc3ccc(N4CC5CNCC5C4)nn23)ccn1
InChIInChI=1S/C24H23FN6O/c1-32-22-10-16(8-9-27-22)24-23(15-2-4-19(25)5-3-15)28-20-6-7-21(29-31(20)24)30-13-17-11-26-12-18(17)14-30/h2-10,17-18,26H,11-14H2,1H3
InChIKeyFIEVPCHQQUROBU-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.26
Rot. Bonds4

About 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine

6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine (PubChem CID 68519598) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine
PubChem CID68519598
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC Name6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine
SMILESCOc1cc(-c2c(-c3ccc(F)cc3)nc3ccc(N4CC5CNCC5C4)nn23)ccn1
InChIInChI=1S/C24H23FN6O/c1-32-22-10-16(8-9-27-22)24-23(15-2-4-19(25)5-3-15)28-20-6-7-21(29-31(20)24)30-13-17-11-26-12-18(17)14-30/h2-10,17-18,26H,11-14H2,1H3
InChIKeyFIEVPCHQQUROBU-UHFFFAOYSA-N
XLogP3.26
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine (CID 68519598) is 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine is COc1cc(-c2c(-c3ccc(F)cc3)nc3ccc(N4CC5CNCC5C4)nn23)ccn1.
What is the InChIKey of 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine?
The InChIKey is FIEVPCHQQUROBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-32-22-10-16(8-9-27-22)24-23(15-2-4-19(25)5-3-15)28-20-6-7-21(29-31(20)24)30-13-17-11-26-12-18(17)14-30/h2-10,17-18,26H,11-14H2,1H3.
What are the key properties of 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine?
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine has a molecular weight of 430.49 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 68519598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).