2-(4-fluorophenyl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine

C25H22FN7 — CID 75150517

IUPAC2-(4-fluorophenyl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine
SMILESCN1CC2CC1CN2c1ccc2nc(-c3ccc(F)cc3)c(-c3ccnc4[nH]ccc34)n2n1
InChIInChI=1S/C25H22FN7/c1-31-13-18-12-17(31)14-32(18)22-7-6-21-29-23(15-2-4-16(26)5-3-15)24(33(21)30-22)19-8-10-27-25-20(19)9-11-28-25/h2-11,17-18H,12-14H2,1H3,(H,27,28)
InChIKeyCRQSVMCZQTWWGA-UHFFFAOYSA-N
MW439.50 g/mol
LogP3.97
Rot. Bonds3

About 2-(4-fluorophenyl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine

2-(4-fluorophenyl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine (PubChem CID 75150517) has the molecular formula C25H22FN7 and a molecular weight of 439.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine
PubChem CID75150517
Molecular FormulaC25H22FN7
Molecular Weight439.50 g/mol
Exact Mass439.19
IUPAC Name2-(4-fluorophenyl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine
SMILESCN1CC2CC1CN2c1ccc2nc(-c3ccc(F)cc3)c(-c3ccnc4[nH]ccc34)n2n1
InChIInChI=1S/C25H22FN7/c1-31-13-18-12-17(31)14-32(18)22-7-6-21-29-23(15-2-4-16(26)5-3-15)24(33(21)30-22)19-8-10-27-25-20(19)9-11-28-25/h2-11,17-18H,12-14H2,1H3,(H,27,28)
InChIKeyCRQSVMCZQTWWGA-UHFFFAOYSA-N
XLogP3.97
TPSA65.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-fluorophenyl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 2-(4-fluorophenyl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine (CID 75150517) is 2-(4-fluorophenyl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(4-fluorophenyl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine is CN1CC2CC1CN2c1ccc2nc(-c3ccc(F)cc3)c(-c3ccnc4[nH]ccc34)n2n1.
What is the InChIKey of 2-(4-fluorophenyl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine?
The InChIKey is CRQSVMCZQTWWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7/c1-31-13-18-12-17(31)14-32(18)22-7-6-21-29-23(15-2-4-16(26)5-3-15)24(33(21)30-22)19-8-10-27-25-20(19)9-11-28-25/h2-11,17-18H,12-14H2,1H3,(H,27,28).
What are the key properties of 2-(4-fluorophenyl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine?
2-(4-fluorophenyl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine has a molecular weight of 439.50 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 75150517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).