N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[3-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide;1,3-benzothiazole

C25H25F3N8O3S — CID 169115448

IUPACN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[3-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide;1,3-benzothiazole
SMILESCC1CN(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)CCN1C(=O)C1(C(F)(F)F)CC1.c1ccc2scnc2c1
InChIInChI=1S/C18H20F3N7O3.C7H5NS/c1-9-8-27(4-5-28(9)16(31)17(2-3-17)18(19,20)21)15(30)14(29)25-11-7-23-13(22)10-6-24-26-12(10)11;1-2-4-7-6(3-1)8-5-9-7/h6-7,9H,2-5,8H2,1H3,(H2,22,23)(H,24,26)(H,25,29);1-5H
InChIKeyXKEQMIDHDNXILS-UHFFFAOYSA-N
MW574.59 g/mol
LogP3.18
Rot. Bonds2

About N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[3-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide;1,3-benzothiazole

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[3-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide;1,3-benzothiazole (PubChem CID 169115448) has the molecular formula C25H25F3N8O3S and a molecular weight of 574.59 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[3-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide;1,3-benzothiazole.

Molecular Properties

Compound NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[3-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide;1,3-benzothiazole
PubChem CID169115448
Molecular FormulaC25H25F3N8O3S
Molecular Weight574.59 g/mol
Exact Mass574.17
IUPAC NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[3-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide;1,3-benzothiazole
SMILESCC1CN(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)CCN1C(=O)C1(C(F)(F)F)CC1.c1ccc2scnc2c1
InChIInChI=1S/C18H20F3N7O3.C7H5NS/c1-9-8-27(4-5-28(9)16(31)17(2-3-17)18(19,20)21)15(30)14(29)25-11-7-23-13(22)10-6-24-26-12(10)11;1-2-4-7-6(3-1)8-5-9-7/h6-7,9H,2-5,8H2,1H3,(H2,22,23)(H,24,26)(H,25,29);1-5H
InChIKeyXKEQMIDHDNXILS-UHFFFAOYSA-N
XLogP3.18
TPSA150.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.59
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[3-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide;1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-5-methyl-2-[1-(trifluoromethyl)cyclopropyl]piperidin-1-yl]-2-oxoacetamide
CID 169114364
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4S)-4-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 169114684
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoacetamide
CID 169114768
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(5-methyl-2-thiophen-2-ylpiperidin-1-yl)-2-oxoacetamide
CID 169113607
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(4-ethyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetamide
CID 169115932
2-[(2S,5R)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide
CID 169115480
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-2-cyclopropyl-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169115092
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169114059
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(2-cyclobutyl-5-methylpiperidin-1-yl)-2-oxoacetamide
CID 169113726
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5S)-5-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoacetamide
CID 169113862
2-(4-acetyl-3-methylpiperazin-1-yl)-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide
CID 169115663
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-5-methyl-2-quinolin-6-ylpiperidin-1-yl]-2-oxoacetamide
CID 169114683

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[3-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide;1,3-benzothiazole?
The IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[3-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide;1,3-benzothiazole (CID 169115448) is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[3-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide;1,3-benzothiazole.
What is the SMILES notation for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[3-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide;1,3-benzothiazole?
The canonical SMILES for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[3-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide;1,3-benzothiazole is CC1CN(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)CCN1C(=O)C1(C(F)(F)F)CC1.c1ccc2scnc2c1.
What is the InChIKey of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[3-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide;1,3-benzothiazole?
The InChIKey is XKEQMIDHDNXILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N7O3.C7H5NS/c1-9-8-27(4-5-28(9)16(31)17(2-3-17)18(19,20)21)15(30)14(29)25-11-7-23-13(22)10-6-24-26-12(10)11;1-2-4-7-6(3-1)8-5-9-7/h6-7,9H,2-5,8H2,1H3,(H2,22,23)(H,24,26)(H,25,29);1-5H.
What are the key properties of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[3-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide;1,3-benzothiazole?
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[3-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide;1,3-benzothiazole has a molecular weight of 574.59 g/mol, XLogP of 3.18, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[3-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide;1,3-benzothiazole is sourced from PubChem (CID 169115448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).