5-[(3S)-3-aminopiperidin-1-yl]-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-1,2-thiazol-4-amine

C20H19F2N7S — CID 70982249

IUPAC5-[(3S)-3-aminopiperidin-1-yl]-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-1,2-thiazol-4-amine
SMILESN[C@H]1CCCN(c2sncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)C1
InChIInChI=1S/C20H19F2N7S/c21-14-4-1-5-15(22)18(14)16-7-6-13-9-24-20(29(13)27-16)26-17-10-25-30-19(17)28-8-2-3-12(23)11-28/h1,4-7,9-10,12H,2-3,8,11,23H2,(H,24,26)/t12-/m0/s1
InChIKeyUOXLVUGEYRRGOI-LBPRGKRZSA-N
MW427.48 g/mol
LogP3.80
Rot. Bonds4

About 5-[(3S)-3-aminopiperidin-1-yl]-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-1,2-thiazol-4-amine

5-[(3S)-3-aminopiperidin-1-yl]-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-1,2-thiazol-4-amine (PubChem CID 70982249) has the molecular formula C20H19F2N7S and a molecular weight of 427.48 g/mol. Its IUPAC name is 5-[(3S)-3-aminopiperidin-1-yl]-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-1,2-thiazol-4-amine.

Molecular Properties

Compound Name5-[(3S)-3-aminopiperidin-1-yl]-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-1,2-thiazol-4-amine
PubChem CID70982249
Molecular FormulaC20H19F2N7S
Molecular Weight427.48 g/mol
Exact Mass427.14
IUPAC Name5-[(3S)-3-aminopiperidin-1-yl]-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-1,2-thiazol-4-amine
SMILESN[C@H]1CCCN(c2sncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)C1
InChIInChI=1S/C20H19F2N7S/c21-14-4-1-5-15(22)18(14)16-7-6-13-9-24-20(29(13)27-16)26-17-10-25-30-19(17)28-8-2-3-12(23)11-28/h1,4-7,9-10,12H,2-3,8,11,23H2,(H,24,26)/t12-/m0/s1
InChIKeyUOXLVUGEYRRGOI-LBPRGKRZSA-N
XLogP3.80
TPSA84.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-aminopiperidin-1-yl]-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-1,2-thiazol-4-amine?
The IUPAC name of 5-[(3S)-3-aminopiperidin-1-yl]-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-1,2-thiazol-4-amine (CID 70982249) is 5-[(3S)-3-aminopiperidin-1-yl]-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-1,2-thiazol-4-amine.
What is the SMILES notation for 5-[(3S)-3-aminopiperidin-1-yl]-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-1,2-thiazol-4-amine?
The canonical SMILES for 5-[(3S)-3-aminopiperidin-1-yl]-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-1,2-thiazol-4-amine is N[C@H]1CCCN(c2sncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)C1.
What is the InChIKey of 5-[(3S)-3-aminopiperidin-1-yl]-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-1,2-thiazol-4-amine?
The InChIKey is UOXLVUGEYRRGOI-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H19F2N7S/c21-14-4-1-5-15(22)18(14)16-7-6-13-9-24-20(29(13)27-16)26-17-10-25-30-19(17)28-8-2-3-12(23)11-28/h1,4-7,9-10,12H,2-3,8,11,23H2,(H,24,26)/t12-/m0/s1.
What are the key properties of 5-[(3S)-3-aminopiperidin-1-yl]-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-1,2-thiazol-4-amine?
5-[(3S)-3-aminopiperidin-1-yl]-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-1,2-thiazol-4-amine has a molecular weight of 427.48 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-aminopiperidin-1-yl]-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-1,2-thiazol-4-amine is sourced from PubChem (CID 70982249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).