(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone

C18H19N3O2S — CID 17395345

IUPAC(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone
SMILESCc1cc(C)c2c(-n3cccc3)c(C(=O)N3CCOCC3)sc2n1
InChIInChI=1S/C18H19N3O2S/c1-12-11-13(2)19-17-14(12)15(20-5-3-4-6-20)16(24-17)18(22)21-7-9-23-10-8-21/h3-6,11H,7-10H2,1-2H3
InChIKeyKHRDZORPOMVCRG-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.18
Rot. Bonds2

About (4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone

(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone (PubChem CID 17395345) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone
PubChem CID17395345
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone
SMILESCc1cc(C)c2c(-n3cccc3)c(C(=O)N3CCOCC3)sc2n1
InChIInChI=1S/C18H19N3O2S/c1-12-11-13(2)19-17-14(12)15(20-5-3-4-6-20)16(24-17)18(22)21-7-9-23-10-8-21/h3-6,11H,7-10H2,1-2H3
InChIKeyKHRDZORPOMVCRG-UHFFFAOYSA-N
XLogP3.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone (CID 17395345) is (4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone is Cc1cc(C)c2c(-n3cccc3)c(C(=O)N3CCOCC3)sc2n1.
What is the InChIKey of (4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone?
The InChIKey is KHRDZORPOMVCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-11-13(2)19-17-14(12)15(20-5-3-4-6-20)16(24-17)18(22)21-7-9-23-10-8-21/h3-6,11H,7-10H2,1-2H3.
What are the key properties of (4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone?
(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone has a molecular weight of 341.44 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 17395345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).