N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide

C24H32N4O2S — CID 92661763

IUPACN-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2nn(C)c3sc(C(=O)NCCCN4C[C@H](C)C[C@@H](C)C4)cc23)c1
InChIInChI=1S/C24H32N4O2S/c1-16-11-17(2)15-28(14-16)10-6-9-25-23(29)21-13-20-22(26-27(3)24(20)31-21)18-7-5-8-19(12-18)30-4/h5,7-8,12-13,16-17H,6,9-11,14-15H2,1-4H3,(H,25,29)/t16-,17-/m1/s1
InChIKeyXQAYBFFZXIWDBY-IAGOWNOFSA-N
MW440.61 g/mol
LogP4.41
Rot. Bonds7

About N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide

N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 92661763) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID92661763
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC NameN-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2nn(C)c3sc(C(=O)NCCCN4C[C@H](C)C[C@@H](C)C4)cc23)c1
InChIInChI=1S/C24H32N4O2S/c1-16-11-17(2)15-28(14-16)10-6-9-25-23(29)21-13-20-22(26-27(3)24(20)31-21)18-7-5-8-19(12-18)30-4/h5,7-8,12-13,16-17H,6,9-11,14-15H2,1-4H3,(H,25,29)/t16-,17-/m1/s1
InChIKeyXQAYBFFZXIWDBY-IAGOWNOFSA-N
XLogP4.41
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 92661763) is N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is COc1cccc(-c2nn(C)c3sc(C(=O)NCCCN4C[C@H](C)C[C@@H](C)C4)cc23)c1.
What is the InChIKey of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is XQAYBFFZXIWDBY-IAGOWNOFSA-N. The full InChI is InChI=1S/C24H32N4O2S/c1-16-11-17(2)15-28(14-16)10-6-9-25-23(29)21-13-20-22(26-27(3)24(20)31-21)18-7-5-8-19(12-18)30-4/h5,7-8,12-13,16-17H,6,9-11,14-15H2,1-4H3,(H,25,29)/t16-,17-/m1/s1.
What are the key properties of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 440.61 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 92661763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).