2-imidazol-1-yl-N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide

C22H23N7OS — CID 58265734

IUPAC2-imidazol-1-yl-N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
SMILESCc1ccc(-c2nn(C(C)C)c3c2CCc2nc(NC(=O)Cn4ccnc4)sc2-3)cn1
InChIInChI=1S/C22H23N7OS/c1-13(2)29-20-16(19(27-29)15-5-4-14(3)24-10-15)6-7-17-21(20)31-22(25-17)26-18(30)11-28-9-8-23-12-28/h4-5,8-10,12-13H,6-7,11H2,1-3H3,(H,25,26,30)
InChIKeyDWDHCFYUFUBZAC-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.89
Rot. Bonds5

About 2-imidazol-1-yl-N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide

2-imidazol-1-yl-N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide (PubChem CID 58265734) has the molecular formula C22H23N7OS and a molecular weight of 433.54 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
PubChem CID58265734
Molecular FormulaC22H23N7OS
Molecular Weight433.54 g/mol
Exact Mass433.17
IUPAC Name2-imidazol-1-yl-N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
SMILESCc1ccc(-c2nn(C(C)C)c3c2CCc2nc(NC(=O)Cn4ccnc4)sc2-3)cn1
InChIInChI=1S/C22H23N7OS/c1-13(2)29-20-16(19(27-29)15-5-4-14(3)24-10-15)6-7-17-21(20)31-22(25-17)26-18(30)11-28-9-8-23-12-28/h4-5,8-10,12-13H,6-7,11H2,1-3H3,(H,25,26,30)
InChIKeyDWDHCFYUFUBZAC-UHFFFAOYSA-N
XLogP3.89
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The IUPAC name of 2-imidazol-1-yl-N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide (CID 58265734) is 2-imidazol-1-yl-N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The canonical SMILES for 2-imidazol-1-yl-N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide is Cc1ccc(-c2nn(C(C)C)c3c2CCc2nc(NC(=O)Cn4ccnc4)sc2-3)cn1.
What is the InChIKey of 2-imidazol-1-yl-N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The InChIKey is DWDHCFYUFUBZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7OS/c1-13(2)29-20-16(19(27-29)15-5-4-14(3)24-10-15)6-7-17-21(20)31-22(25-17)26-18(30)11-28-9-8-23-12-28/h4-5,8-10,12-13H,6-7,11H2,1-3H3,(H,25,26,30).
What are the key properties of 2-imidazol-1-yl-N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
2-imidazol-1-yl-N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide has a molecular weight of 433.54 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide is sourced from PubChem (CID 58265734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).