(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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Related Compounds

2-(4-Morpholinylcarbonyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 615872
6-Phenyl-2-(pyrrolidine-1-carbonyl)thieno(2,3-b)pyridin-3-amine
CID 3726387
2-(4-Morpholinylcarbonyl)-6,7,8,9-tetrahydro-5H-cyclohepta[B]thieno[3,2-E]pyridin-3-amine
CID 671405
3-amino-4-[(3S)-3-(2-ethoxyethoxymethyl)piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 162641696
3-Amino-4-pyridin-3-yl-6,7-dihydro-5H-1-thia-8-aza-s-indacene-2-carboxylic acid amide
CID 706211
3-Amino-6-(pyridin-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 766178
3-amino-N,N-diethyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1541587
2-(4-morpholinylcarbonyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridin-3-amine
CID 797675
3-amino-N-(2-fluorophenyl)-6-(3-pyridinyl)-2-thieno[2,3-b]pyridinecarboxamide
CID 1962617
Prop-2-enyl 2-(11,13-dimethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetate
CID 9513205
Ethyl 2-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]acetate
CID 660248
3-amino-N-(4-methylphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1086314

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).