5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol

C20H20FN7OS — CID 148975341

IUPAC5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol
SMILESCN(c1nc2nnc(-c3ccc(-c4cn[nH]c4F)cc3O)cc2s1)C1CCNCC1
InChIInChI=1S/C20H20FN7OS/c1-28(12-4-6-22-7-5-12)20-24-19-17(30-20)9-15(25-27-19)13-3-2-11(8-16(13)29)14-10-23-26-18(14)21/h2-3,8-10,12,22,29H,4-7H2,1H3,(H,23,26)
InChIKeyPURNZFCETFQESR-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.18
Rot. Bonds4

About 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol

5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol (PubChem CID 148975341) has the molecular formula C20H20FN7OS and a molecular weight of 425.49 g/mol. Its IUPAC name is 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol
PubChem CID148975341
Molecular FormulaC20H20FN7OS
Molecular Weight425.49 g/mol
Exact Mass425.14
IUPAC Name5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol
SMILESCN(c1nc2nnc(-c3ccc(-c4cn[nH]c4F)cc3O)cc2s1)C1CCNCC1
InChIInChI=1S/C20H20FN7OS/c1-28(12-4-6-22-7-5-12)20-24-19-17(30-20)9-15(25-27-19)13-3-2-11(8-16(13)29)14-10-23-26-18(14)21/h2-3,8-10,12,22,29H,4-7H2,1H3,(H,23,26)
InChIKeyPURNZFCETFQESR-UHFFFAOYSA-N
XLogP3.18
TPSA102.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol?
The IUPAC name of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol (CID 148975341) is 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol.
What is the SMILES notation for 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol?
The canonical SMILES for 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol is CN(c1nc2nnc(-c3ccc(-c4cn[nH]c4F)cc3O)cc2s1)C1CCNCC1.
What is the InChIKey of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol?
The InChIKey is PURNZFCETFQESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7OS/c1-28(12-4-6-22-7-5-12)20-24-19-17(30-20)9-15(25-27-19)13-3-2-11(8-16(13)29)14-10-23-26-18(14)21/h2-3,8-10,12,22,29H,4-7H2,1H3,(H,23,26).
What are the key properties of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol?
5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol has a molecular weight of 425.49 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 148975341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).