N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C19H20FN5O2S — CID 154675975

IUPACN-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ccc4cccnc4n3)C[C@@H]2C)s1
InChIInChI=1S/C19H20FN5O2S/c1-11-8-14(27-16-6-5-13-4-3-7-21-18(13)23-16)9-25(11)10-15-17(20)24-19(28-15)22-12(2)26/h3-7,11,14H,8-10H2,1-2H3,(H,22,24,26)/t11-,14+/m0/s1
InChIKeySQZNNJLSTUWDCB-SMDDNHRTSA-N
MW401.47 g/mol
LogP3.23
Rot. Bonds5

About N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 154675975) has the molecular formula C19H20FN5O2S and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID154675975
Molecular FormulaC19H20FN5O2S
Molecular Weight401.47 g/mol
Exact Mass401.13
IUPAC NameN-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ccc4cccnc4n3)C[C@@H]2C)s1
InChIInChI=1S/C19H20FN5O2S/c1-11-8-14(27-16-6-5-13-4-3-7-21-18(13)23-16)9-25(11)10-15-17(20)24-19(28-15)22-12(2)26/h3-7,11,14H,8-10H2,1-2H3,(H,22,24,26)/t11-,14+/m0/s1
InChIKeySQZNNJLSTUWDCB-SMDDNHRTSA-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-[[(2S,4R)-2-methyl-4-(1,8-naphthyridin-2-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

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 154675975) is N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ccc4cccnc4n3)C[C@@H]2C)s1.
What is the InChIKey of N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is SQZNNJLSTUWDCB-SMDDNHRTSA-N. The full InChI is InChI=1S/C19H20FN5O2S/c1-11-8-14(27-16-6-5-13-4-3-7-21-18(13)23-16)9-25(11)10-15-17(20)24-19(28-15)22-12(2)26/h3-7,11,14H,8-10H2,1-2H3,(H,22,24,26)/t11-,14+/m0/s1.
What are the key properties of N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(1,8-naphthyridin-2-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-[[(2S,4R)-2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 154675975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).