N-(1,3-benzodioxol-5-yl)-3-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylbenzamide

C28H29F3N4O5 — CID 142428852

IUPACN-(1,3-benzodioxol-5-yl)-3-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylbenzamide
SMILESCN(C(=O)c1cccc(-n2nc(C(F)(F)F)c3c2CCN(C[C@@H]2COC(C)(C)O2)C3)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C28H29F3N4O5/c1-27(2)39-15-20(40-27)13-34-10-9-22-21(14-34)25(28(29,30)31)32-35(22)19-6-4-5-17(11-19)26(36)33(3)18-7-8-23-24(12-18)38-16-37-23/h4-8,11-12,20H,9-10,13-16H2,1-3H3/t20-/m1/s1
InChIKeySGXRNWZHHSXLOJ-HXUWFJFHSA-N
MW558.56 g/mol
LogP4.41
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-3-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylbenzamide

N-(1,3-benzodioxol-5-yl)-3-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylbenzamide (PubChem CID 142428852) has the molecular formula C28H29F3N4O5 and a molecular weight of 558.56 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylbenzamide
PubChem CID142428852
Molecular FormulaC28H29F3N4O5
Molecular Weight558.56 g/mol
Exact Mass558.21
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylbenzamide
SMILESCN(C(=O)c1cccc(-n2nc(C(F)(F)F)c3c2CCN(C[C@@H]2COC(C)(C)O2)C3)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C28H29F3N4O5/c1-27(2)39-15-20(40-27)13-34-10-9-22-21(14-34)25(28(29,30)31)32-35(22)19-6-4-5-17(11-19)26(36)33(3)18-7-8-23-24(12-18)38-16-37-23/h4-8,11-12,20H,9-10,13-16H2,1-3H3/t20-/m1/s1
InChIKeySGXRNWZHHSXLOJ-HXUWFJFHSA-N
XLogP4.41
TPSA78.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.56
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(1,3-benzodioxol-5-yl)-3-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylbenzamide 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-(1,3-benzodioxol-5-yl)-3-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylbenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylbenzamide (CID 142428852) is N-(1,3-benzodioxol-5-yl)-3-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylbenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylbenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylbenzamide is CN(C(=O)c1cccc(-n2nc(C(F)(F)F)c3c2CCN(C[C@@H]2COC(C)(C)O2)C3)c1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylbenzamide?
The InChIKey is SGXRNWZHHSXLOJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H29F3N4O5/c1-27(2)39-15-20(40-27)13-34-10-9-22-21(14-34)25(28(29,30)31)32-35(22)19-6-4-5-17(11-19)26(36)33(3)18-7-8-23-24(12-18)38-16-37-23/h4-8,11-12,20H,9-10,13-16H2,1-3H3/t20-/m1/s1.
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylbenzamide?
N-(1,3-benzodioxol-5-yl)-3-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylbenzamide has a molecular weight of 558.56 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-[5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-methylbenzamide is sourced from PubChem (CID 142428852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).