N-(6-fluoro-5-piperidin-4-yloxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,2-benzothiazol-3-amine

C21H23FN6OS — CID 177358717

IUPACN-(6-fluoro-5-piperidin-4-yloxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,2-benzothiazol-3-amine
SMILESCC(C)c1cnn2c(Nc3nsc4ccccc34)c(F)c(OC3CCNCC3)nc12
InChIInChI=1S/C21H23FN6OS/c1-12(2)15-11-24-28-19(15)26-21(29-13-7-9-23-10-8-13)17(22)20(28)25-18-14-5-3-4-6-16(14)30-27-18/h3-6,11-13,23H,7-10H2,1-2H3,(H,25,27)
InChIKeyGUBJUVRJVZFRLZ-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.48
Rot. Bonds5

About N-(6-fluoro-5-piperidin-4-yloxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,2-benzothiazol-3-amine

N-(6-fluoro-5-piperidin-4-yloxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,2-benzothiazol-3-amine (PubChem CID 177358717) has the molecular formula C21H23FN6OS and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(6-fluoro-5-piperidin-4-yloxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,2-benzothiazol-3-amine.

Molecular Properties

Compound NameN-(6-fluoro-5-piperidin-4-yloxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,2-benzothiazol-3-amine
PubChem CID177358717
Molecular FormulaC21H23FN6OS
Molecular Weight426.52 g/mol
Exact Mass426.16
IUPAC NameN-(6-fluoro-5-piperidin-4-yloxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,2-benzothiazol-3-amine
SMILESCC(C)c1cnn2c(Nc3nsc4ccccc34)c(F)c(OC3CCNCC3)nc12
InChIInChI=1S/C21H23FN6OS/c1-12(2)15-11-24-28-19(15)26-21(29-13-7-9-23-10-8-13)17(22)20(28)25-18-14-5-3-4-6-16(14)30-27-18/h3-6,11-13,23H,7-10H2,1-2H3,(H,25,27)
InChIKeyGUBJUVRJVZFRLZ-UHFFFAOYSA-N
XLogP4.48
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[6-fluoro-7-(1H-indazol-3-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite
CID 177358786
2-amino-N'-[6-fluoro-5-(piperidin-4-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]benzenecarboximidamide
CID 177358789
2-piperidin-4-yloxy-8-propan-2-yl-N-[(2-thiophen-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 71731764
piperidin-4-yl 4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylate
CID 163568736
2-(1-methylpiperidin-4-yl)oxy-N-[(1S)-1-naphthalen-1-ylethyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 71731503
4-dimethylphosphoryl-N-[3-[(6-fluoro-5-piperidin-4-ylsulfanyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]benzamide
CID 177358707
N-(2-propan-2-ylphenyl)piperidin-4-amine
CID 61016047
8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 78161990
2-N-(oxan-4-yl)-4-N-(piperidin-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 122517837
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 71730743
8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]oxypyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 71730492
3-[(3R)-piperidin-3-yl]oxy-1,2-benzothiazole
CID 71637350

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-5-piperidin-4-yloxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,2-benzothiazol-3-amine?
The IUPAC name of N-(6-fluoro-5-piperidin-4-yloxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,2-benzothiazol-3-amine (CID 177358717) is N-(6-fluoro-5-piperidin-4-yloxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,2-benzothiazol-3-amine.
What is the SMILES notation for N-(6-fluoro-5-piperidin-4-yloxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,2-benzothiazol-3-amine?
The canonical SMILES for N-(6-fluoro-5-piperidin-4-yloxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,2-benzothiazol-3-amine is CC(C)c1cnn2c(Nc3nsc4ccccc34)c(F)c(OC3CCNCC3)nc12.
What is the InChIKey of N-(6-fluoro-5-piperidin-4-yloxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,2-benzothiazol-3-amine?
The InChIKey is GUBJUVRJVZFRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6OS/c1-12(2)15-11-24-28-19(15)26-21(29-13-7-9-23-10-8-13)17(22)20(28)25-18-14-5-3-4-6-16(14)30-27-18/h3-6,11-13,23H,7-10H2,1-2H3,(H,25,27).
What are the key properties of N-(6-fluoro-5-piperidin-4-yloxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,2-benzothiazol-3-amine?
N-(6-fluoro-5-piperidin-4-yloxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,2-benzothiazol-3-amine has a molecular weight of 426.52 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-5-piperidin-4-yloxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,2-benzothiazol-3-amine is sourced from PubChem (CID 177358717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).