[3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone

C23H28N4O3S — CID 110251305

IUPAC[3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
SMILESCc1nn(C)cc1CN1CCOC(c2c(C(=O)N3CCOCC3)sc3ccccc23)C1
InChIInChI=1S/C23H28N4O3S/c1-16-17(13-25(2)24-16)14-26-7-12-30-19(15-26)21-18-5-3-4-6-20(18)31-22(21)23(28)27-8-10-29-11-9-27/h3-6,13,19H,7-12,14-15H2,1-2H3
InChIKeyNLPAYRHDBMIYOC-UHFFFAOYSA-N
MW440.57 g/mol
LogP2.99
Rot. Bonds4

About [3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone

[3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone (PubChem CID 110251305) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is [3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
PubChem CID110251305
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name[3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
SMILESCc1nn(C)cc1CN1CCOC(c2c(C(=O)N3CCOCC3)sc3ccccc23)C1
InChIInChI=1S/C23H28N4O3S/c1-16-17(13-25(2)24-16)14-26-7-12-30-19(15-26)21-18-5-3-4-6-20(18)31-22(21)23(28)27-8-10-29-11-9-27/h3-6,13,19H,7-12,14-15H2,1-2H3
InChIKeyNLPAYRHDBMIYOC-UHFFFAOYSA-N
XLogP2.99
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone (CID 110251305) is [3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone is Cc1nn(C)cc1CN1CCOC(c2c(C(=O)N3CCOCC3)sc3ccccc23)C1.
What is the InChIKey of [3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone?
The InChIKey is NLPAYRHDBMIYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-16-17(13-25(2)24-16)14-26-7-12-30-19(15-26)21-18-5-3-4-6-20(18)31-22(21)23(28)27-8-10-29-11-9-27/h3-6,13,19H,7-12,14-15H2,1-2H3.
What are the key properties of [3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone?
[3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone has a molecular weight of 440.57 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110251305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).