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

C19H20FN5O2S — CID 155055335

IUPACN-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(1,6-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ccc4cnccc4n3)C[C@@H]2C)s1
InChIInChI=1S/C19H20FN5O2S/c1-11-7-14(27-17-4-3-13-8-21-6-5-15(13)23-17)9-25(11)10-16-18(20)24-19(28-16)22-12(2)26/h3-6,8,11,14H,7,9-10H2,1-2H3,(H,22,24,26)/t11-,14+/m0/s1
InChIKeyFKPFCOGRSTUJQO-SMDDNHRTSA-N
MW401.47 g/mol
LogP3.23
Rot. Bonds5

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

N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(1,6-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 155055335) 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-(1,6-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-(1,6-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID155055335
Molecular FormulaC19H20FN5O2S
Molecular Weight401.47 g/mol
Exact Mass401.13
IUPAC NameN-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(1,6-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ccc4cnccc4n3)C[C@@H]2C)s1
InChIInChI=1S/C19H20FN5O2S/c1-11-7-14(27-17-4-3-13-8-21-6-5-15(13)23-17)9-25(11)10-16-18(20)24-19(28-16)22-12(2)26/h3-6,8,11,14H,7,9-10H2,1-2H3,(H,22,24,26)/t11-,14+/m0/s1
InChIKeyFKPFCOGRSTUJQO-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-(1,6-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(1,6-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-(1,6-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 155055335) is N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(1,6-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-(1,6-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-(1,6-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ccc4cnccc4n3)C[C@@H]2C)s1.
What is the InChIKey of N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(1,6-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is FKPFCOGRSTUJQO-SMDDNHRTSA-N. The full InChI is InChI=1S/C19H20FN5O2S/c1-11-7-14(27-17-4-3-13-8-21-6-5-15(13)23-17)9-25(11)10-16-18(20)24-19(28-16)22-12(2)26/h3-6,8,11,14H,7,9-10H2,1-2H3,(H,22,24,26)/t11-,14+/m0/s1.
What are the key properties of N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(1,6-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(1,6-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-(1,6-naphthyridin-2-yloxy)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 155055335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).