6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1H-indol-4-yl)imidazo[1,2-b]pyridazine

C24H19F2N5 — CID 67029209

IUPAC6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1H-indol-4-yl)imidazo[1,2-b]pyridazine
SMILESFc1ccc(F)c(C2CCCN2c2ccc3ncc(-c4cccc5[nH]ccc45)n3n2)c1
InChIInChI=1S/C24H19F2N5/c25-15-6-7-19(26)18(13-15)21-5-2-12-30(21)24-9-8-23-28-14-22(31(23)29-24)17-3-1-4-20-16(17)10-11-27-20/h1,3-4,6-11,13-14,21,27H,2,5,12H2
InChIKeyQMHFIEQIBWDVCZ-UHFFFAOYSA-N
MW415.45 g/mol
LogP5.50
Rot. Bonds3

About 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1H-indol-4-yl)imidazo[1,2-b]pyridazine

6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1H-indol-4-yl)imidazo[1,2-b]pyridazine (PubChem CID 67029209) has the molecular formula C24H19F2N5 and a molecular weight of 415.45 g/mol. Its IUPAC name is 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1H-indol-4-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1H-indol-4-yl)imidazo[1,2-b]pyridazine
PubChem CID67029209
Molecular FormulaC24H19F2N5
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1H-indol-4-yl)imidazo[1,2-b]pyridazine
SMILESFc1ccc(F)c(C2CCCN2c2ccc3ncc(-c4cccc5[nH]ccc45)n3n2)c1
InChIInChI=1S/C24H19F2N5/c25-15-6-7-19(26)18(13-15)21-5-2-12-30(21)24-9-8-23-28-14-22(31(23)29-24)17-3-1-4-20-16(17)10-11-27-20/h1,3-4,6-11,13-14,21,27H,2,5,12H2
InChIKeyQMHFIEQIBWDVCZ-UHFFFAOYSA-N
XLogP5.50
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1H-indol-4-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1H-indol-4-yl)imidazo[1,2-b]pyridazine (CID 67029209) is 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1H-indol-4-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1H-indol-4-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1H-indol-4-yl)imidazo[1,2-b]pyridazine is Fc1ccc(F)c(C2CCCN2c2ccc3ncc(-c4cccc5[nH]ccc45)n3n2)c1.
What is the InChIKey of 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1H-indol-4-yl)imidazo[1,2-b]pyridazine?
The InChIKey is QMHFIEQIBWDVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5/c25-15-6-7-19(26)18(13-15)21-5-2-12-30(21)24-9-8-23-28-14-22(31(23)29-24)17-3-1-4-20-16(17)10-11-27-20/h1,3-4,6-11,13-14,21,27H,2,5,12H2.
What are the key properties of 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1H-indol-4-yl)imidazo[1,2-b]pyridazine?
6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1H-indol-4-yl)imidazo[1,2-b]pyridazine has a molecular weight of 415.45 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1H-indol-4-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 67029209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).