3-[5-(2,2-dimethylpropanoyl)-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide

C25H26F3N5O3 — CID 135331418

IUPAC3-[5-(2,2-dimethylpropanoyl)-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(-n3nc(C(F)(F)F)c4c3CCN(C(=O)C(C)(C)C)C4)c2)ccn1
InChIInChI=1S/C25H26F3N5O3/c1-24(2,3)23(35)32-11-9-19-18(14-32)21(25(26,27)28)31-33(19)17-7-5-6-15(12-17)22(34)30-16-8-10-29-20(13-16)36-4/h5-8,10,12-13H,9,11,14H2,1-4H3,(H,29,30,34)
InChIKeyJBSUQGANJRAQIB-UHFFFAOYSA-N
MW501.51 g/mol
LogP4.48
Rot. Bonds4

About 3-[5-(2,2-dimethylpropanoyl)-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide

3-[5-(2,2-dimethylpropanoyl)-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide (PubChem CID 135331418) has the molecular formula C25H26F3N5O3 and a molecular weight of 501.51 g/mol. Its IUPAC name is 3-[5-(2,2-dimethylpropanoyl)-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[5-(2,2-dimethylpropanoyl)-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide
PubChem CID135331418
Molecular FormulaC25H26F3N5O3
Molecular Weight501.51 g/mol
Exact Mass501.20
IUPAC Name3-[5-(2,2-dimethylpropanoyl)-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(-n3nc(C(F)(F)F)c4c3CCN(C(=O)C(C)(C)C)C4)c2)ccn1
InChIInChI=1S/C25H26F3N5O3/c1-24(2,3)23(35)32-11-9-19-18(14-32)21(25(26,27)28)31-33(19)17-7-5-6-15(12-17)22(34)30-16-8-10-29-20(13-16)36-4/h5-8,10,12-13H,9,11,14H2,1-4H3,(H,29,30,34)
InChIKeyJBSUQGANJRAQIB-UHFFFAOYSA-N
XLogP4.48
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-(2,2-dimethylpropanoyl)-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide 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

tert-butyl 1-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)-methylcarbamoyl]phenyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 142428854
methyl 3-[4-[1-[3-[1,3-benzodioxol-5-yl(methyl)carbamoyl]phenyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]-3-oxopropanoate
CID 142428721
tert-butyl 1-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]phenyl]-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate
CID 155644254
N-(3-chlorophenyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 4860983
N-(1,3-benzodioxol-5-yl)-3-[5-(2-methoxyethylsulfonyl)-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylbenzamide
CID 142428758
N-phenyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 4860978
methyl 3-(5-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate
CID 110458892
N-(1,3-benzodioxol-5-yl)-N-methyl-3-[5-(methylaminomethyl)-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]benzamide
CID 155061587
N-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 155061584
N-(2-methoxy-4-pyridinyl)-2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 57412024
N-(3,4-dichlorophenyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 4861014
N-(1,3-benzodioxol-5-yl)-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 135330794

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-dimethylpropanoyl)-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide?
The IUPAC name of 3-[5-(2,2-dimethylpropanoyl)-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide (CID 135331418) is 3-[5-(2,2-dimethylpropanoyl)-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide.
What is the SMILES notation for 3-[5-(2,2-dimethylpropanoyl)-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide?
The canonical SMILES for 3-[5-(2,2-dimethylpropanoyl)-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide is COc1cc(NC(=O)c2cccc(-n3nc(C(F)(F)F)c4c3CCN(C(=O)C(C)(C)C)C4)c2)ccn1.
What is the InChIKey of 3-[5-(2,2-dimethylpropanoyl)-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide?
The InChIKey is JBSUQGANJRAQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O3/c1-24(2,3)23(35)32-11-9-19-18(14-32)21(25(26,27)28)31-33(19)17-7-5-6-15(12-17)22(34)30-16-8-10-29-20(13-16)36-4/h5-8,10,12-13H,9,11,14H2,1-4H3,(H,29,30,34).
What are the key properties of 3-[5-(2,2-dimethylpropanoyl)-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide?
3-[5-(2,2-dimethylpropanoyl)-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide has a molecular weight of 501.51 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2-dimethylpropanoyl)-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide is sourced from PubChem (CID 135331418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).