[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone

C22H27N3OS — CID 174346809

IUPAC[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
SMILESCc1cc(-c2[nH]c3cc(C(=O)N4CC[C@@H](C)C4)sc3c2C(C)C)cc(C)n1
InChIInChI=1S/C22H27N3OS/c1-12(2)19-20(16-8-14(4)23-15(5)9-16)24-17-10-18(27-21(17)19)22(26)25-7-6-13(3)11-25/h8-10,12-13,24H,6-7,11H2,1-5H3/t13-/m1/s1
InChIKeyODLRDUYYOSYPNU-CYBMUJFWSA-N
MW381.55 g/mol
LogP5.51
Rot. Bonds3

About [5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone

[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 174346809) has the molecular formula C22H27N3OS and a molecular weight of 381.55 g/mol. Its IUPAC name is [5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
PubChem CID174346809
Molecular FormulaC22H27N3OS
Molecular Weight381.55 g/mol
Exact Mass381.19
IUPAC Name[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
SMILESCc1cc(-c2[nH]c3cc(C(=O)N4CC[C@@H](C)C4)sc3c2C(C)C)cc(C)n1
InChIInChI=1S/C22H27N3OS/c1-12(2)19-20(16-8-14(4)23-15(5)9-16)24-17-10-18(27-21(17)19)22(26)25-7-6-13(3)11-25/h8-10,12-13,24H,6-7,11H2,1-5H3/t13-/m1/s1
InChIKeyODLRDUYYOSYPNU-CYBMUJFWSA-N
XLogP5.51
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.55
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone (CID 174346809) is [5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone is Cc1cc(-c2[nH]c3cc(C(=O)N4CC[C@@H](C)C4)sc3c2C(C)C)cc(C)n1.
What is the InChIKey of [5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is ODLRDUYYOSYPNU-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H27N3OS/c1-12(2)19-20(16-8-14(4)23-15(5)9-16)24-17-10-18(27-21(17)19)22(26)25-7-6-13(3)11-25/h8-10,12-13,24H,6-7,11H2,1-5H3/t13-/m1/s1.
What are the key properties of [5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone?
[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 381.55 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 174346809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).