N-[4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]acetamide

C33H30F8N4O — CID 138698562

IUPACN-[4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]acetamide
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(Cc1ccc(C(F)(F)F)cc1C(F)(F)F)CC2
InChIInChI=1S/C33H30F8N4O/c1-4-19-7-6-8-20(5-2)30(19)45-31(23-14-27(35)29(15-26(23)34)42-18(3)46)24-17-44(12-11-28(24)43-45)16-21-9-10-22(32(36,37)38)13-25(21)33(39,40)41/h6-10,13-15H,4-5,11-12,16-17H2,1-3H3,(H,42,46)
InChIKeyARQFLOWOMUMRDP-UHFFFAOYSA-N
MW650.61 g/mol
LogP8.50
Rot. Bonds7

About N-[4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]acetamide

N-[4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]acetamide (PubChem CID 138698562) has the molecular formula C33H30F8N4O and a molecular weight of 650.61 g/mol. Its IUPAC name is N-[4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]acetamide
PubChem CID138698562
Molecular FormulaC33H30F8N4O
Molecular Weight650.61 g/mol
Exact Mass650.23
IUPAC NameN-[4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]acetamide
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(Cc1ccc(C(F)(F)F)cc1C(F)(F)F)CC2
InChIInChI=1S/C33H30F8N4O/c1-4-19-7-6-8-20(5-2)30(19)45-31(23-14-27(35)29(15-26(23)34)42-18(3)46)24-17-44(12-11-28(24)43-45)16-21-9-10-22(32(36,37)38)13-25(21)33(39,40)41/h6-10,13-15H,4-5,11-12,16-17H2,1-3H3,(H,42,46)
InChIKeyARQFLOWOMUMRDP-UHFFFAOYSA-N
XLogP8.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.61
LogP ≤ 58.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]acetamide?
The IUPAC name of N-[4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]acetamide (CID 138698562) is N-[4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]acetamide.
What is the SMILES notation for N-[4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]acetamide?
The canonical SMILES for N-[4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]acetamide is CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(Cc1ccc(C(F)(F)F)cc1C(F)(F)F)CC2.
What is the InChIKey of N-[4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]acetamide?
The InChIKey is ARQFLOWOMUMRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30F8N4O/c1-4-19-7-6-8-20(5-2)30(19)45-31(23-14-27(35)29(15-26(23)34)42-18(3)46)24-17-44(12-11-28(24)43-45)16-21-9-10-22(32(36,37)38)13-25(21)33(39,40)41/h6-10,13-15H,4-5,11-12,16-17H2,1-3H3,(H,42,46).
What are the key properties of N-[4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]acetamide?
N-[4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]acetamide has a molecular weight of 650.61 g/mol, XLogP of 8.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]acetamide is sourced from PubChem (CID 138698562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).