(6-methoxy-3-pyridinyl)-[5-methyl-6-[2-(oxolan-3-ylamino)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone

C20H23N3O3S — CID 50899111

IUPAC(6-methoxy-3-pyridinyl)-[5-methyl-6-[2-(oxolan-3-ylamino)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone
SMILESCOc1ccc(C(=O)c2cc3cc(C)n(CCNC4CCOC4)c3s2)cn1
InChIInChI=1S/C20H23N3O3S/c1-13-9-15-10-17(19(24)14-3-4-18(25-2)22-11-14)27-20(15)23(13)7-6-21-16-5-8-26-12-16/h3-4,9-11,16,21H,5-8,12H2,1-2H3
InChIKeyGBLDYFFOWJTKNE-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.02
Rot. Bonds7

About (6-methoxy-3-pyridinyl)-[5-methyl-6-[2-(oxolan-3-ylamino)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone

(6-methoxy-3-pyridinyl)-[5-methyl-6-[2-(oxolan-3-ylamino)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone (PubChem CID 50899111) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)-[5-methyl-6-[2-(oxolan-3-ylamino)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl)-[5-methyl-6-[2-(oxolan-3-ylamino)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone
PubChem CID50899111
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name(6-methoxy-3-pyridinyl)-[5-methyl-6-[2-(oxolan-3-ylamino)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone
SMILESCOc1ccc(C(=O)c2cc3cc(C)n(CCNC4CCOC4)c3s2)cn1
InChIInChI=1S/C20H23N3O3S/c1-13-9-15-10-17(19(24)14-3-4-18(25-2)22-11-14)27-20(15)23(13)7-6-21-16-5-8-26-12-16/h3-4,9-11,16,21H,5-8,12H2,1-2H3
InChIKeyGBLDYFFOWJTKNE-UHFFFAOYSA-N
XLogP3.02
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl)-[5-methyl-6-[2-(oxolan-3-ylamino)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone?
The IUPAC name of (6-methoxy-3-pyridinyl)-[5-methyl-6-[2-(oxolan-3-ylamino)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone (CID 50899111) is (6-methoxy-3-pyridinyl)-[5-methyl-6-[2-(oxolan-3-ylamino)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone.
What is the SMILES notation for (6-methoxy-3-pyridinyl)-[5-methyl-6-[2-(oxolan-3-ylamino)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone?
The canonical SMILES for (6-methoxy-3-pyridinyl)-[5-methyl-6-[2-(oxolan-3-ylamino)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone is COc1ccc(C(=O)c2cc3cc(C)n(CCNC4CCOC4)c3s2)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl)-[5-methyl-6-[2-(oxolan-3-ylamino)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone?
The InChIKey is GBLDYFFOWJTKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-13-9-15-10-17(19(24)14-3-4-18(25-2)22-11-14)27-20(15)23(13)7-6-21-16-5-8-26-12-16/h3-4,9-11,16,21H,5-8,12H2,1-2H3.
What are the key properties of (6-methoxy-3-pyridinyl)-[5-methyl-6-[2-(oxolan-3-ylamino)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone?
(6-methoxy-3-pyridinyl)-[5-methyl-6-[2-(oxolan-3-ylamino)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone has a molecular weight of 385.49 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl)-[5-methyl-6-[2-(oxolan-3-ylamino)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone is sourced from PubChem (CID 50899111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).