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

C25H24FN7 — CID 67016727

IUPAC6-(3,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine
SMILESCC1CN(c2ccc3nc(-c4ccc(F)cc4)c(-c4ccnc5[nH]ccc45)n3n2)CC(C)N1
InChIInChI=1S/C25H24FN7/c1-15-13-32(14-16(2)29-15)22-8-7-21-30-23(17-3-5-18(26)6-4-17)24(33(21)31-22)19-9-11-27-25-20(19)10-12-28-25/h3-12,15-16,29H,13-14H2,1-2H3,(H,27,28)
InChIKeyMRLIMDQKNPCDNU-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.27
Rot. Bonds3

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

6-(3,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine (PubChem CID 67016727) has the molecular formula C25H24FN7 and a molecular weight of 441.51 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(3,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine
PubChem CID67016727
Molecular FormulaC25H24FN7
Molecular Weight441.51 g/mol
Exact Mass441.21
IUPAC Name6-(3,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine
SMILESCC1CN(c2ccc3nc(-c4ccc(F)cc4)c(-c4ccnc5[nH]ccc45)n3n2)CC(C)N1
InChIInChI=1S/C25H24FN7/c1-15-13-32(14-16(2)29-15)22-8-7-21-30-23(17-3-5-18(26)6-4-17)24(33(21)31-22)19-9-11-27-25-20(19)10-12-28-25/h3-12,15-16,29H,13-14H2,1-2H3,(H,27,28)
InChIKeyMRLIMDQKNPCDNU-UHFFFAOYSA-N
XLogP4.27
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(3,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine (CID 67016727) is 6-(3,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(3,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(3,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine is CC1CN(c2ccc3nc(-c4ccc(F)cc4)c(-c4ccnc5[nH]ccc45)n3n2)CC(C)N1.
What is the InChIKey of 6-(3,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine?
The InChIKey is MRLIMDQKNPCDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7/c1-15-13-32(14-16(2)29-15)22-8-7-21-30-23(17-3-5-18(26)6-4-17)24(33(21)31-22)19-9-11-27-25-20(19)10-12-28-25/h3-12,15-16,29H,13-14H2,1-2H3,(H,27,28).
What are the key properties of 6-(3,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine?
6-(3,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine has a molecular weight of 441.51 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 67016727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).