N-[4-fluoro-5-[[2-methyl-4-(1,6-naphthyridin-5-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C19H20FN5O2S — CID 154675992

IUPACN-[4-fluoro-5-[[2-methyl-4-(1,6-naphthyridin-5-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2CC(Oc3nccc4ncccc34)CC2C)s1
InChIInChI=1S/C19H20FN5O2S/c1-11-8-13(27-18-14-4-3-6-21-15(14)5-7-22-18)9-25(11)10-16-17(20)24-19(28-16)23-12(2)26/h3-7,11,13H,8-10H2,1-2H3,(H,23,24,26)
InChIKeyFYCIONGROSMLGW-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.23
Rot. Bonds5

About N-[4-fluoro-5-[[2-methyl-4-(1,6-naphthyridin-5-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[4-fluoro-5-[[2-methyl-4-(1,6-naphthyridin-5-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 154675992) has the molecular formula C19H20FN5O2S and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[4-fluoro-5-[[2-methyl-4-(1,6-naphthyridin-5-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-5-[[2-methyl-4-(1,6-naphthyridin-5-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID154675992
Molecular FormulaC19H20FN5O2S
Molecular Weight401.47 g/mol
Exact Mass401.13
IUPAC NameN-[4-fluoro-5-[[2-methyl-4-(1,6-naphthyridin-5-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2CC(Oc3nccc4ncccc34)CC2C)s1
InChIInChI=1S/C19H20FN5O2S/c1-11-8-13(27-18-14-4-3-6-21-15(14)5-7-22-18)9-25(11)10-16-17(20)24-19(28-16)23-12(2)26/h3-7,11,13H,8-10H2,1-2H3,(H,23,24,26)
InChIKeyFYCIONGROSMLGW-UHFFFAOYSA-N
XLogP3.23
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-fluoro-5-[[2-methyl-4-(1,6-naphthyridin-5-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-pyrrolidin-1-ylquinazolin-4-yl)oxy-N-(1,3-thiazol-2-yl)acetamide
CID 156015674
US20240308995, Example 1-5
CID 146448589
US20240308995, Example 1-11
CID 152930826
US20240308995, Example 1-4
CID 153550312
US20240308995, Example 1-146
CID 153550338
US20240308995, Example 1-107
CID 153550347
US20240308995, Example 1-110
CID 153550359
US20240308995, Example 1-143
CID 153550379
US20240308995, Example 1-94
CID 153550392
US20240308995, Example 1-47
CID 153550409
US20240308995, Example 1-10
CID 153550410
US20240308995, Example 1-145
CID 153550432

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-5-[[2-methyl-4-(1,6-naphthyridin-5-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-fluoro-5-[[2-methyl-4-(1,6-naphthyridin-5-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 154675992) is N-[4-fluoro-5-[[2-methyl-4-(1,6-naphthyridin-5-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-fluoro-5-[[2-methyl-4-(1,6-naphthyridin-5-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-fluoro-5-[[2-methyl-4-(1,6-naphthyridin-5-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(F)c(CN2CC(Oc3nccc4ncccc34)CC2C)s1.
What is the InChIKey of N-[4-fluoro-5-[[2-methyl-4-(1,6-naphthyridin-5-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is FYCIONGROSMLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2S/c1-11-8-13(27-18-14-4-3-6-21-15(14)5-7-22-18)9-25(11)10-16-17(20)24-19(28-16)23-12(2)26/h3-7,11,13H,8-10H2,1-2H3,(H,23,24,26).
What are the key properties of N-[4-fluoro-5-[[2-methyl-4-(1,6-naphthyridin-5-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-fluoro-5-[[2-methyl-4-(1,6-naphthyridin-5-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 401.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-5-[[2-methyl-4-(1,6-naphthyridin-5-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 154675992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).