1-[(6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one

C17H17ClF2N4O — CID 15951972

IUPAC1-[(6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
SMILESO=C1CC(C=C(F)F)CN1Cc1c(C2CCC2)nc2ccc(Cl)nn12
InChIInChI=1S/C17H17ClF2N4O/c18-13-4-5-15-21-17(11-2-1-3-11)12(24(15)22-13)9-23-8-10(6-14(19)20)7-16(23)25/h4-6,10-11H,1-3,7-9H2
InChIKeyBLPWMSWXFXHDRK-UHFFFAOYSA-N
MW366.80 g/mol
LogP3.78
Rot. Bonds4

About 1-[(6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one

1-[(6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one (PubChem CID 15951972) has the molecular formula C17H17ClF2N4O and a molecular weight of 366.80 g/mol. Its IUPAC name is 1-[(6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
PubChem CID15951972
Molecular FormulaC17H17ClF2N4O
Molecular Weight366.80 g/mol
Exact Mass366.11
IUPAC Name1-[(6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
SMILESO=C1CC(C=C(F)F)CN1Cc1c(C2CCC2)nc2ccc(Cl)nn12
InChIInChI=1S/C17H17ClF2N4O/c18-13-4-5-15-21-17(11-2-1-3-11)12(24(15)22-13)9-23-8-10(6-14(19)20)7-16(23)25/h4-6,10-11H,1-3,7-9H2
InChIKeyBLPWMSWXFXHDRK-UHFFFAOYSA-N
XLogP3.78
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
The IUPAC name of 1-[(6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one (CID 15951972) is 1-[(6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[(6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
The canonical SMILES for 1-[(6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one is O=C1CC(C=C(F)F)CN1Cc1c(C2CCC2)nc2ccc(Cl)nn12.
What is the InChIKey of 1-[(6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
The InChIKey is BLPWMSWXFXHDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N4O/c18-13-4-5-15-21-17(11-2-1-3-11)12(24(15)22-13)9-23-8-10(6-14(19)20)7-16(23)25/h4-6,10-11H,1-3,7-9H2.
What are the key properties of 1-[(6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
1-[(6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one has a molecular weight of 366.80 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one is sourced from PubChem (CID 15951972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).