(3S)-3-fluoro-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide

C16H17FN6O2S — CID 146653026

IUPAC(3S)-3-fluoro-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide
SMILESCOc1ncc(-c2cnn(C)c2)c2sc(NC(=O)N3CC[C@H](F)C3)nc12
InChIInChI=1S/C16H17FN6O2S/c1-22-7-9(5-19-22)11-6-18-14(25-2)12-13(11)26-15(20-12)21-16(24)23-4-3-10(17)8-23/h5-7,10H,3-4,8H2,1-2H3,(H,20,21,24)/t10-/m0/s1
InChIKeyZWYPAYGCIRFCKZ-JTQLQIEISA-N
MW376.42 g/mol
LogP2.68
Rot. Bonds3

About (3S)-3-fluoro-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide

(3S)-3-fluoro-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide (PubChem CID 146653026) has the molecular formula C16H17FN6O2S and a molecular weight of 376.42 g/mol. Its IUPAC name is (3S)-3-fluoro-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-fluoro-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide
PubChem CID146653026
Molecular FormulaC16H17FN6O2S
Molecular Weight376.42 g/mol
Exact Mass376.11
IUPAC Name(3S)-3-fluoro-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide
SMILESCOc1ncc(-c2cnn(C)c2)c2sc(NC(=O)N3CC[C@H](F)C3)nc12
InChIInChI=1S/C16H17FN6O2S/c1-22-7-9(5-19-22)11-6-18-14(25-2)12-13(11)26-15(20-12)21-16(24)23-4-3-10(17)8-23/h5-7,10H,3-4,8H2,1-2H3,(H,20,21,24)/t10-/m0/s1
InChIKeyZWYPAYGCIRFCKZ-JTQLQIEISA-N
XLogP2.68
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-fluoro-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide (CID 146653026) is (3S)-3-fluoro-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-fluoro-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-fluoro-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide is COc1ncc(-c2cnn(C)c2)c2sc(NC(=O)N3CC[C@H](F)C3)nc12.
What is the InChIKey of (3S)-3-fluoro-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is ZWYPAYGCIRFCKZ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17FN6O2S/c1-22-7-9(5-19-22)11-6-18-14(25-2)12-13(11)26-15(20-12)21-16(24)23-4-3-10(17)8-23/h5-7,10H,3-4,8H2,1-2H3,(H,20,21,24)/t10-/m0/s1.
What are the key properties of (3S)-3-fluoro-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide?
(3S)-3-fluoro-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 146653026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).