N-ethyl-N-[[1-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methoxyacetamide

C25H28F2N4O2 — CID 42801915

IUPACN-ethyl-N-[[1-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methoxyacetamide
SMILESCCN(Cc1nn(-c2ccc(F)cc2)c2c1CN(Cc1ccc(F)cc1)CC2)C(=O)COC
InChIInChI=1S/C25H28F2N4O2/c1-3-30(25(32)17-33-2)16-23-22-15-29(14-18-4-6-19(26)7-5-18)13-12-24(22)31(28-23)21-10-8-20(27)9-11-21/h4-11H,3,12-17H2,1-2H3
InChIKeyZWNIITYMNKFLIY-UHFFFAOYSA-N
MW454.52 g/mol
LogP3.70
Rot. Bonds8

About N-ethyl-N-[[1-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methoxyacetamide

N-ethyl-N-[[1-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methoxyacetamide (PubChem CID 42801915) has the molecular formula C25H28F2N4O2 and a molecular weight of 454.52 g/mol. Its IUPAC name is N-ethyl-N-[[1-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-ethyl-N-[[1-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methoxyacetamide
PubChem CID42801915
Molecular FormulaC25H28F2N4O2
Molecular Weight454.52 g/mol
Exact Mass454.22
IUPAC NameN-ethyl-N-[[1-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methoxyacetamide
SMILESCCN(Cc1nn(-c2ccc(F)cc2)c2c1CN(Cc1ccc(F)cc1)CC2)C(=O)COC
InChIInChI=1S/C25H28F2N4O2/c1-3-30(25(32)17-33-2)16-23-22-15-29(14-18-4-6-19(26)7-5-18)13-12-24(22)31(28-23)21-10-8-20(27)9-11-21/h4-11H,3,12-17H2,1-2H3
InChIKeyZWNIITYMNKFLIY-UHFFFAOYSA-N
XLogP3.70
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1-[[1-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-1-propan-2-ylurea
CID 42872576
N-[(5-benzyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-ethylacetamide
CID 42808543
N-ethyl-2,6-difluoro-N-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]benzamide
CID 46074420
1-ethyl-3-(4-methoxyphenyl)-1-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea
CID 46074426
N-[[5-[(4-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)methanesulfonamide
CID 42872679
N-ethyl-N-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-nitrobenzamide
CID 42872644
1-[[5-[(4-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-(2-methylpropyl)amino]-3-methylbutan-2-ol
CID 42801955
N-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-fluorobenzamide
CID 46074295
N-[[5-[(2-fluorophenyl)methyl]-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methoxy-N-methylacetamide
CID 42871607
N-[[5-benzyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-(4-methoxyphenyl)acetamide
CID 42871700
N-cyclopropyl-2-methoxy-N-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]benzamide
CID 42872572
3-cyclohexyl-1-[[5-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-1-methylurea
CID 42871811

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-ethyl-N-[[1-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methoxyacetamide (CID 42801915) is N-ethyl-N-[[1-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-ethyl-N-[[1-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-ethyl-N-[[1-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methoxyacetamide is CCN(Cc1nn(-c2ccc(F)cc2)c2c1CN(Cc1ccc(F)cc1)CC2)C(=O)COC.
What is the InChIKey of N-ethyl-N-[[1-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methoxyacetamide?
The InChIKey is ZWNIITYMNKFLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O2/c1-3-30(25(32)17-33-2)16-23-22-15-29(14-18-4-6-19(26)7-5-18)13-12-24(22)31(28-23)21-10-8-20(27)9-11-21/h4-11H,3,12-17H2,1-2H3.
What are the key properties of N-ethyl-N-[[1-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methoxyacetamide?
N-ethyl-N-[[1-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methoxyacetamide has a molecular weight of 454.52 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 42801915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).