(3R)-1-[3-[[2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol

C19H19N7OS — CID 71007355

IUPAC(3R)-1-[3-[[2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4nccs4)nn23)C1
InChIInChI=1S/C19H19N7OS/c27-14-2-1-8-25(12-14)17-5-6-20-11-16(17)23-19-22-10-13-3-4-15(24-26(13)19)18-21-7-9-28-18/h3-7,9-11,14,27H,1-2,8,12H2,(H,22,23)/t14-/m1/s1
InChIKeyDECARIPTBLIWSP-CQSZACIVSA-N
MW393.48 g/mol
LogP2.95
Rot. Bonds4

About (3R)-1-[3-[[2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol

(3R)-1-[3-[[2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol (PubChem CID 71007355) has the molecular formula C19H19N7OS and a molecular weight of 393.48 g/mol. Its IUPAC name is (3R)-1-[3-[[2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[3-[[2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol
PubChem CID71007355
Molecular FormulaC19H19N7OS
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC Name(3R)-1-[3-[[2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4nccs4)nn23)C1
InChIInChI=1S/C19H19N7OS/c27-14-2-1-8-25(12-14)17-5-6-20-11-16(17)23-19-22-10-13-3-4-15(24-26(13)19)18-21-7-9-28-18/h3-7,9-11,14,27H,1-2,8,12H2,(H,22,23)/t14-/m1/s1
InChIKeyDECARIPTBLIWSP-CQSZACIVSA-N
XLogP2.95
TPSA91.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[[2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[3-[[2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol (CID 71007355) is (3R)-1-[3-[[2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[3-[[2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[3-[[2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol is O[C@@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4nccs4)nn23)C1.
What is the InChIKey of (3R)-1-[3-[[2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol?
The InChIKey is DECARIPTBLIWSP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N7OS/c27-14-2-1-8-25(12-14)17-5-6-20-11-16(17)23-19-22-10-13-3-4-15(24-26(13)19)18-21-7-9-28-18/h3-7,9-11,14,27H,1-2,8,12H2,(H,22,23)/t14-/m1/s1.
What are the key properties of (3R)-1-[3-[[2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol?
(3R)-1-[3-[[2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol has a molecular weight of 393.48 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[[2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 71007355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).