6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-2-piperidin-4-ylbenzotriazole

C19H18F3N7 — CID 170340796

IUPAC6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-2-piperidin-4-ylbenzotriazole
SMILESCc1cn2nc(-c3cc(F)c4nn(C5CCNCC5)nc4c3)cc(C(F)F)c2n1
InChIInChI=1S/C19H18F3N7/c1-10-9-28-19(24-10)13(18(21)22)8-15(25-28)11-6-14(20)17-16(7-11)26-29(27-17)12-2-4-23-5-3-12/h6-9,12,18,23H,2-5H2,1H3
InChIKeyFPCUNNOGMBUERU-UHFFFAOYSA-N
MW401.40 g/mol
LogP3.45
Rot. Bonds3

About 6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-2-piperidin-4-ylbenzotriazole

6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-2-piperidin-4-ylbenzotriazole (PubChem CID 170340796) has the molecular formula C19H18F3N7 and a molecular weight of 401.40 g/mol. Its IUPAC name is 6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-2-piperidin-4-ylbenzotriazole.

Molecular Properties

Compound Name6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-2-piperidin-4-ylbenzotriazole
PubChem CID170340796
Molecular FormulaC19H18F3N7
Molecular Weight401.40 g/mol
Exact Mass401.16
IUPAC Name6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-2-piperidin-4-ylbenzotriazole
SMILESCc1cn2nc(-c3cc(F)c4nn(C5CCNCC5)nc4c3)cc(C(F)F)c2n1
InChIInChI=1S/C19H18F3N7/c1-10-9-28-19(24-10)13(18(21)22)8-15(25-28)11-6-14(20)17-16(7-11)26-29(27-17)12-2-4-23-5-3-12/h6-9,12,18,23H,2-5H2,1H3
InChIKeyFPCUNNOGMBUERU-UHFFFAOYSA-N
XLogP3.45
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-2-piperidin-4-ylbenzotriazole?
The IUPAC name of 6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-2-piperidin-4-ylbenzotriazole (CID 170340796) is 6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-2-piperidin-4-ylbenzotriazole.
What is the SMILES notation for 6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-2-piperidin-4-ylbenzotriazole?
The canonical SMILES for 6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-2-piperidin-4-ylbenzotriazole is Cc1cn2nc(-c3cc(F)c4nn(C5CCNCC5)nc4c3)cc(C(F)F)c2n1.
What is the InChIKey of 6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-2-piperidin-4-ylbenzotriazole?
The InChIKey is FPCUNNOGMBUERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7/c1-10-9-28-19(24-10)13(18(21)22)8-15(25-28)11-6-14(20)17-16(7-11)26-29(27-17)12-2-4-23-5-3-12/h6-9,12,18,23H,2-5H2,1H3.
What are the key properties of 6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-2-piperidin-4-ylbenzotriazole?
6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-2-piperidin-4-ylbenzotriazole has a molecular weight of 401.40 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-4-fluoro-2-piperidin-4-ylbenzotriazole is sourced from PubChem (CID 170340796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).