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

C19H20FN5O2S — CID 155055326

IUPACN-[4-fluoro-5-[[2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2CC(Oc3ccc4cccnc4n3)CC2C)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)
InChIKeySQZNNJLSTUWDCB-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.23
Rot. Bonds5

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

N-[4-fluoro-5-[[2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 155055326) 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-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-5-[[2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID155055326
Molecular FormulaC19H20FN5O2S
Molecular Weight401.47 g/mol
Exact Mass401.13
IUPAC NameN-[4-fluoro-5-[[2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2CC(Oc3ccc4cccnc4n3)CC2C)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)
InChIKeySQZNNJLSTUWDCB-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

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-5-[[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-[[2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 155055326) is N-[4-fluoro-5-[[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-[[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-[[2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(F)c(CN2CC(Oc3ccc4cccnc4n3)CC2C)s1.
What is the InChIKey of N-[4-fluoro-5-[[2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is SQZNNJLSTUWDCB-UHFFFAOYSA-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).
What are the key properties of N-[4-fluoro-5-[[2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-fluoro-5-[[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-[[2-methyl-4-(1,8-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 155055326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).