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

C26H29F3N4O — CID 46880451

IUPAC2-[1-ethyl-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
SMILESCCn1nc(C)c2c1CCN(C(C(=O)NC)c1ccccc1)C2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H29F3N4O/c1-4-33-21-14-15-32(24(25(34)30-3)19-8-6-5-7-9-19)22(23(21)17(2)31-33)16-18-10-12-20(13-11-18)26(27,28)29/h5-13,22,24H,4,14-16H2,1-3H3,(H,30,34)
InChIKeyWOGUJLBOIUDAQB-UHFFFAOYSA-N
MW470.54 g/mol
LogP4.86
Rot. Bonds6

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

2-[1-ethyl-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (PubChem CID 46880451) has the molecular formula C26H29F3N4O and a molecular weight of 470.54 g/mol. Its IUPAC name is 2-[1-ethyl-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[1-ethyl-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
PubChem CID46880451
Molecular FormulaC26H29F3N4O
Molecular Weight470.54 g/mol
Exact Mass470.23
IUPAC Name2-[1-ethyl-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
SMILESCCn1nc(C)c2c1CCN(C(C(=O)NC)c1ccccc1)C2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H29F3N4O/c1-4-33-21-14-15-32(24(25(34)30-3)19-8-6-5-7-9-19)22(23(21)17(2)31-33)16-18-10-12-20(13-11-18)26(27,28)29/h5-13,22,24H,4,14-16H2,1-3H3,(H,30,34)
InChIKeyWOGUJLBOIUDAQB-UHFFFAOYSA-N
XLogP4.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The IUPAC name of 2-[1-ethyl-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (CID 46880451) is 2-[1-ethyl-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-[1-ethyl-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-[1-ethyl-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide is CCn1nc(C)c2c1CCN(C(C(=O)NC)c1ccccc1)C2Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[1-ethyl-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The InChIKey is WOGUJLBOIUDAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N4O/c1-4-33-21-14-15-32(24(25(34)30-3)19-8-6-5-7-9-19)22(23(21)17(2)31-33)16-18-10-12-20(13-11-18)26(27,28)29/h5-13,22,24H,4,14-16H2,1-3H3,(H,30,34).
What are the key properties of 2-[1-ethyl-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
2-[1-ethyl-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide has a molecular weight of 470.54 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 46880451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).