5-fluoro-6-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methylnaphthalene-1-carboxamide

C25H22FN3O4S — CID 11213773

IUPAC5-fluoro-6-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methylnaphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2c(F)c(Oc3ccnc4cc(C(=O)N5CC[C@H](OC)C5)sc34)ccc12
InChIInChI=1S/C25H22FN3O4S/c1-27-24(30)17-5-3-4-16-15(17)6-7-19(22(16)26)33-20-8-10-28-18-12-21(34-23(18)20)25(31)29-11-9-14(13-29)32-2/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,27,30)/t14-/m0/s1
InChIKeySAEACUPELHHWPS-AWEZNQCLSA-N
MW479.53 g/mol
LogP4.60
Rot. Bonds5

About 5-fluoro-6-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methylnaphthalene-1-carboxamide

5-fluoro-6-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methylnaphthalene-1-carboxamide (PubChem CID 11213773) has the molecular formula C25H22FN3O4S and a molecular weight of 479.53 g/mol. Its IUPAC name is 5-fluoro-6-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-6-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methylnaphthalene-1-carboxamide
PubChem CID11213773
Molecular FormulaC25H22FN3O4S
Molecular Weight479.53 g/mol
Exact Mass479.13
IUPAC Name5-fluoro-6-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methylnaphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2c(F)c(Oc3ccnc4cc(C(=O)N5CC[C@H](OC)C5)sc34)ccc12
InChIInChI=1S/C25H22FN3O4S/c1-27-24(30)17-5-3-4-16-15(17)6-7-19(22(16)26)33-20-8-10-28-18-12-21(34-23(18)20)25(31)29-11-9-14(13-29)32-2/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,27,30)/t14-/m0/s1
InChIKeySAEACUPELHHWPS-AWEZNQCLSA-N
XLogP4.60
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-6-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methylnaphthalene-1-carboxamide 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 5-fluoro-6-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methylnaphthalene-1-carboxamide?
The IUPAC name of 5-fluoro-6-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methylnaphthalene-1-carboxamide (CID 11213773) is 5-fluoro-6-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methylnaphthalene-1-carboxamide.
What is the SMILES notation for 5-fluoro-6-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methylnaphthalene-1-carboxamide?
The canonical SMILES for 5-fluoro-6-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methylnaphthalene-1-carboxamide is CNC(=O)c1cccc2c(F)c(Oc3ccnc4cc(C(=O)N5CC[C@H](OC)C5)sc34)ccc12.
What is the InChIKey of 5-fluoro-6-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methylnaphthalene-1-carboxamide?
The InChIKey is SAEACUPELHHWPS-AWEZNQCLSA-N. The full InChI is InChI=1S/C25H22FN3O4S/c1-27-24(30)17-5-3-4-16-15(17)6-7-19(22(16)26)33-20-8-10-28-18-12-21(34-23(18)20)25(31)29-11-9-14(13-29)32-2/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,27,30)/t14-/m0/s1.
What are the key properties of 5-fluoro-6-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methylnaphthalene-1-carboxamide?
5-fluoro-6-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methylnaphthalene-1-carboxamide has a molecular weight of 479.53 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 11213773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).