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

C23H29N7OS — CID 143862056

IUPACN-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]-2-piperazin-1-ylacetamide
SMILESCc1ccc(-c2nn(C(C)C)c3c2CCc2nc(NC(=O)CN4CCNCC4)sc2-3)cn1
InChIInChI=1S/C23H29N7OS/c1-14(2)30-21-17(20(28-30)16-5-4-15(3)25-12-16)6-7-18-22(21)32-23(26-18)27-19(31)13-29-10-8-24-9-11-29/h4-5,12,14,24H,6-11,13H2,1-3H3,(H,26,27,31)
InChIKeyCQDDSJTYYJMKFV-UHFFFAOYSA-N
MW451.60 g/mol
LogP2.90
Rot. Bonds5

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

N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]-2-piperazin-1-ylacetamide (PubChem CID 143862056) has the molecular formula C23H29N7OS and a molecular weight of 451.60 g/mol. Its IUPAC name is N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]-2-piperazin-1-ylacetamide
PubChem CID143862056
Molecular FormulaC23H29N7OS
Molecular Weight451.60 g/mol
Exact Mass451.22
IUPAC NameN-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]-2-piperazin-1-ylacetamide
SMILESCc1ccc(-c2nn(C(C)C)c3c2CCc2nc(NC(=O)CN4CCNCC4)sc2-3)cn1
InChIInChI=1S/C23H29N7OS/c1-14(2)30-21-17(20(28-30)16-5-4-15(3)25-12-16)6-7-18-22(21)32-23(26-18)27-19(31)13-29-10-8-24-9-11-29/h4-5,12,14,24H,6-11,13H2,1-3H3,(H,26,27,31)
InChIKeyCQDDSJTYYJMKFV-UHFFFAOYSA-N
XLogP2.90
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]-2-piperazin-1-ylacetamide 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 N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]-2-piperazin-1-ylacetamide (CID 143862056) is N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]-2-piperazin-1-ylacetamide is Cc1ccc(-c2nn(C(C)C)c3c2CCc2nc(NC(=O)CN4CCNCC4)sc2-3)cn1.
What is the InChIKey of N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]-2-piperazin-1-ylacetamide?
The InChIKey is CQDDSJTYYJMKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7OS/c1-14(2)30-21-17(20(28-30)16-5-4-15(3)25-12-16)6-7-18-22(21)32-23(26-18)27-19(31)13-29-10-8-24-9-11-29/h4-5,12,14,24H,6-11,13H2,1-3H3,(H,26,27,31).
What are the key properties of N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]-2-piperazin-1-ylacetamide?
N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]-2-piperazin-1-ylacetamide has a molecular weight of 451.60 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 143862056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).