3-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C25H26N4O2S — CID 24505123

IUPAC3-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NC(CN3CCOCC3)c3ccccc3)cc12
InChIInChI=1S/C25H26N4O2S/c1-18-21-16-23(32-25(21)29(27-18)20-10-6-3-7-11-20)24(30)26-22(19-8-4-2-5-9-19)17-28-12-14-31-15-13-28/h2-11,16,22H,12-15,17H2,1H3,(H,26,30)
InChIKeyJEBJYZFOPUMTKY-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.20
Rot. Bonds6

About 3-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

3-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 24505123) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID24505123
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC Name3-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NC(CN3CCOCC3)c3ccccc3)cc12
InChIInChI=1S/C25H26N4O2S/c1-18-21-16-23(32-25(21)29(27-18)20-10-6-3-7-11-20)24(30)26-22(19-8-4-2-5-9-19)17-28-12-14-31-15-13-28/h2-11,16,22H,12-15,17H2,1H3,(H,26,30)
InChIKeyJEBJYZFOPUMTKY-UHFFFAOYSA-N
XLogP4.20
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 24505123) is 3-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)NC(CN3CCOCC3)c3ccccc3)cc12.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is JEBJYZFOPUMTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-18-21-16-23(32-25(21)29(27-18)20-10-6-3-7-11-20)24(30)26-22(19-8-4-2-5-9-19)17-28-12-14-31-15-13-28/h2-11,16,22H,12-15,17H2,1H3,(H,26,30).
What are the key properties of 3-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
3-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 446.58 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 24505123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).