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

C25H26N4OS — CID 66819577

IUPAC3-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(C4CCN(C)CC4)cc3)cc12
InChIInChI=1S/C25H26N4OS/c1-17-22-16-23(31-25(22)29(27-17)21-6-4-3-5-7-21)24(30)26-20-10-8-18(9-11-20)19-12-14-28(2)15-13-19/h3-11,16,19H,12-15H2,1-2H3,(H,26,30)
InChIKeyMCVKYYUVJJPCPR-UHFFFAOYSA-N
MW430.58 g/mol
LogP5.46
Rot. Bonds4

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

3-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 66819577) has the molecular formula C25H26N4OS and a molecular weight of 430.58 g/mol. Its IUPAC name is 3-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID66819577
Molecular FormulaC25H26N4OS
Molecular Weight430.58 g/mol
Exact Mass430.18
IUPAC Name3-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(C4CCN(C)CC4)cc3)cc12
InChIInChI=1S/C25H26N4OS/c1-17-22-16-23(31-25(22)29(27-17)21-6-4-3-5-7-21)24(30)26-20-10-8-18(9-11-20)19-12-14-28(2)15-13-19/h3-11,16,19H,12-15H2,1-2H3,(H,26,30)
InChIKeyMCVKYYUVJJPCPR-UHFFFAOYSA-N
XLogP5.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.58
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 66819577) is 3-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(C4CCN(C)CC4)cc3)cc12.
What is the InChIKey of 3-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is MCVKYYUVJJPCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4OS/c1-17-22-16-23(31-25(22)29(27-17)21-6-4-3-5-7-21)24(30)26-20-10-8-18(9-11-20)19-12-14-28(2)15-13-19/h3-11,16,19H,12-15H2,1-2H3,(H,26,30).
What are the key properties of 3-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
3-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 430.58 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 66819577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).