6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide

C25H25N3O4S2 — CID 59990774

IUPAC6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide
SMILESCc1sc2cc(Oc3ccnc4cc(C(=O)N5CCC[C@H]5CO)sc34)ccc2c1C(=O)N(C)C
InChIInChI=1S/C25H25N3O4S2/c1-14-22(25(31)27(2)3)17-7-6-16(11-20(17)33-14)32-19-8-9-26-18-12-21(34-23(18)19)24(30)28-10-4-5-15(28)13-29/h6-9,11-12,15,29H,4-5,10,13H2,1-3H3/t15-/m0/s1
InChIKeyIAJZDKSHUVJYSF-HNNXBMFYSA-N
MW495.63 g/mol
LogP4.91
Rot. Bonds5

About 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide

6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide (PubChem CID 59990774) has the molecular formula C25H25N3O4S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide
PubChem CID59990774
Molecular FormulaC25H25N3O4S2
Molecular Weight495.63 g/mol
Exact Mass495.13
IUPAC Name6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide
SMILESCc1sc2cc(Oc3ccnc4cc(C(=O)N5CCC[C@H]5CO)sc34)ccc2c1C(=O)N(C)C
InChIInChI=1S/C25H25N3O4S2/c1-14-22(25(31)27(2)3)17-7-6-16(11-20(17)33-14)32-19-8-9-26-18-12-21(34-23(18)19)24(30)28-10-4-5-15(28)13-29/h6-9,11-12,15,29H,4-5,10,13H2,1-3H3/t15-/m0/s1
InChIKeyIAJZDKSHUVJYSF-HNNXBMFYSA-N
XLogP4.91
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

N-methyl-6-(2-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yloxy)benzo[b]thiophene-3-carboxamide
CID 52947268
5-fluoro-6-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methylnaphthalene-1-carboxamide
CID 11213773
2-[3-fluoro-4-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide
CID 18456581
4-fluoro-5-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide
CID 20746003
4-fluoro-5-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 20746004
5-[2-(3-fluoro-4-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-hydroxyethyl)-2-methylindole-1-carboxamide
CID 20746034
5-[2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 20746048
[7-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]thieno[3,2-b]pyridin-2-yl]-(2-methoxypyrrolidin-1-yl)methanone
CID 22603697
4-[2-[4-[2-[3-(Dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-2-phenylpyrazol-3-one
CID 58268864
[(3S)-1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl] acetate
CID 58474291
N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)acetamide
CID 58474329
1-Cyclopropyl-3-[3-fluoro-4-[2-(morpholine-4-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 58474336

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide (CID 59990774) is 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide is Cc1sc2cc(Oc3ccnc4cc(C(=O)N5CCC[C@H]5CO)sc34)ccc2c1C(=O)N(C)C.
What is the InChIKey of 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide?
The InChIKey is IAJZDKSHUVJYSF-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H25N3O4S2/c1-14-22(25(31)27(2)3)17-7-6-16(11-20(17)33-14)32-19-8-9-26-18-12-21(34-23(18)19)24(30)28-10-4-5-15(28)13-29/h6-9,11-12,15,29H,4-5,10,13H2,1-3H3/t15-/m0/s1.
What are the key properties of 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide?
6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide has a molecular weight of 495.63 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 59990774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).