N-[4-fluoro-5-[(2-methyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C17H19FN6O2S — CID 155055333

IUPACN-[4-fluoro-5-[(2-methyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2CC(Oc3ccnc4ccnn34)CC2C)s1
InChIInChI=1S/C17H19FN6O2S/c1-10-7-12(26-15-4-5-19-14-3-6-20-24(14)15)8-23(10)9-13-16(18)22-17(27-13)21-11(2)25/h3-6,10,12H,7-9H2,1-2H3,(H,21,22,25)
InChIKeyNFAGVWMPSUFWSL-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.33
Rot. Bonds5

About N-[4-fluoro-5-[(2-methyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-[4-fluoro-5-[(2-methyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 155055333) has the molecular formula C17H19FN6O2S and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[4-fluoro-5-[(2-methyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-5-[(2-methyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID155055333
Molecular FormulaC17H19FN6O2S
Molecular Weight390.44 g/mol
Exact Mass390.13
IUPAC NameN-[4-fluoro-5-[(2-methyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2CC(Oc3ccnc4ccnn34)CC2C)s1
InChIInChI=1S/C17H19FN6O2S/c1-10-7-12(26-15-4-5-19-14-3-6-20-24(14)15)8-23(10)9-13-16(18)22-17(27-13)21-11(2)25/h3-6,10,12H,7-9H2,1-2H3,(H,21,22,25)
InChIKeyNFAGVWMPSUFWSL-UHFFFAOYSA-N
XLogP2.33
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-5-[(2-methyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-fluoro-5-[(2-methyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 155055333) is N-[4-fluoro-5-[(2-methyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-fluoro-5-[(2-methyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-fluoro-5-[(2-methyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(F)c(CN2CC(Oc3ccnc4ccnn34)CC2C)s1.
What is the InChIKey of N-[4-fluoro-5-[(2-methyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NFAGVWMPSUFWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O2S/c1-10-7-12(26-15-4-5-19-14-3-6-20-24(14)15)8-23(10)9-13-16(18)22-17(27-13)21-11(2)25/h3-6,10,12H,7-9H2,1-2H3,(H,21,22,25).
What are the key properties of N-[4-fluoro-5-[(2-methyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-fluoro-5-[(2-methyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 390.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-5-[(2-methyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 155055333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).