(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-benzylpiperidin-1-yl)methanone

C22H25N3OS — CID 2348679

IUPAC(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-benzylpiperidin-1-yl)methanone
SMILESCc1cc(C)c2c(N)c(C(=O)N3CCC(Cc4ccccc4)CC3)sc2n1
InChIInChI=1S/C22H25N3OS/c1-14-12-15(2)24-21-18(14)19(23)20(27-21)22(26)25-10-8-17(9-11-25)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13,23H2,1-2H3
InChIKeyRTDCFKCOGLOVAL-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.59
Rot. Bonds3

About (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-benzylpiperidin-1-yl)methanone

(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-benzylpiperidin-1-yl)methanone (PubChem CID 2348679) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-benzylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-benzylpiperidin-1-yl)methanone
PubChem CID2348679
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-benzylpiperidin-1-yl)methanone
SMILESCc1cc(C)c2c(N)c(C(=O)N3CCC(Cc4ccccc4)CC3)sc2n1
InChIInChI=1S/C22H25N3OS/c1-14-12-15(2)24-21-18(14)19(23)20(27-21)22(26)25-10-8-17(9-11-25)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13,23H2,1-2H3
InChIKeyRTDCFKCOGLOVAL-UHFFFAOYSA-N
XLogP4.59
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-benzylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-benzylpiperidin-1-yl)methanone (CID 2348679) is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-benzylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-benzylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-benzylpiperidin-1-yl)methanone is Cc1cc(C)c2c(N)c(C(=O)N3CCC(Cc4ccccc4)CC3)sc2n1.
What is the InChIKey of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-benzylpiperidin-1-yl)methanone?
The InChIKey is RTDCFKCOGLOVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-14-12-15(2)24-21-18(14)19(23)20(27-21)22(26)25-10-8-17(9-11-25)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13,23H2,1-2H3.
What are the key properties of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-benzylpiperidin-1-yl)methanone?
(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-benzylpiperidin-1-yl)methanone has a molecular weight of 379.53 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-benzylpiperidin-1-yl)methanone is sourced from PubChem (CID 2348679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).