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

C19H18FN7OS — CID 151278145

IUPAC5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(pyrrolidin-3-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol
SMILESCN(c1nc2nnc(-c3ccc(-c4cn[nH]c4F)cc3O)cc2s1)C1CCNC1
InChIInChI=1S/C19H18FN7OS/c1-27(11-4-5-21-8-11)19-23-18-16(29-19)7-14(24-26-18)12-3-2-10(6-15(12)28)13-9-22-25-17(13)20/h2-3,6-7,9,11,21,28H,4-5,8H2,1H3,(H,22,25)
InChIKeyNXUHVKLYQJXFKO-UHFFFAOYSA-N
MW411.47 g/mol
LogP2.79
Rot. Bonds4

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

5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(pyrrolidin-3-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol (PubChem CID 151278145) has the molecular formula C19H18FN7OS and a molecular weight of 411.47 g/mol. Its IUPAC name is 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(pyrrolidin-3-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(pyrrolidin-3-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol
PubChem CID151278145
Molecular FormulaC19H18FN7OS
Molecular Weight411.47 g/mol
Exact Mass411.13
IUPAC Name5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(pyrrolidin-3-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol
SMILESCN(c1nc2nnc(-c3ccc(-c4cn[nH]c4F)cc3O)cc2s1)C1CCNC1
InChIInChI=1S/C19H18FN7OS/c1-27(11-4-5-21-8-11)19-23-18-16(29-19)7-14(24-26-18)12-3-2-10(6-15(12)28)13-9-22-25-17(13)20/h2-3,6-7,9,11,21,28H,4-5,8H2,1H3,(H,22,25)
InChIKeyNXUHVKLYQJXFKO-UHFFFAOYSA-N
XLogP2.79
TPSA102.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 52.79
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(pyrrolidin-3-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(pyrrolidin-3-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol (CID 151278145) is 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(pyrrolidin-3-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(pyrrolidin-3-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(pyrrolidin-3-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol is CN(c1nc2nnc(-c3ccc(-c4cn[nH]c4F)cc3O)cc2s1)C1CCNC1.
What is the InChIKey of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(pyrrolidin-3-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol?
The InChIKey is NXUHVKLYQJXFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7OS/c1-27(11-4-5-21-8-11)19-23-18-16(29-19)7-14(24-26-18)12-3-2-10(6-15(12)28)13-9-22-25-17(13)20/h2-3,6-7,9,11,21,28H,4-5,8H2,1H3,(H,22,25).
What are the key properties of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(pyrrolidin-3-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol?
5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(pyrrolidin-3-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol has a molecular weight of 411.47 g/mol, XLogP of 2.79, 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(pyrrolidin-3-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 151278145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).