1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C28H27F3N4O3 — CID 118933284

IUPAC1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1cccc2ccccc12)c1nn(CCO)c2c1CN(Cc1ccc(OC(F)(F)F)cc1)CC2
InChIInChI=1S/C28H27F3N4O3/c29-28(30,31)38-22-10-8-19(9-11-22)17-34-13-12-25-24(18-34)26(33-35(25)14-15-36)27(37)32-16-21-6-3-5-20-4-1-2-7-23(20)21/h1-11,36H,12-18H2,(H,32,37)
InChIKeyZHFMZLSCXCPLAX-UHFFFAOYSA-N
MW524.54 g/mol
LogP4.42
Rot. Bonds8

About 1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 118933284) has the molecular formula C28H27F3N4O3 and a molecular weight of 524.54 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID118933284
Molecular FormulaC28H27F3N4O3
Molecular Weight524.54 g/mol
Exact Mass524.20
IUPAC Name1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1cccc2ccccc12)c1nn(CCO)c2c1CN(Cc1ccc(OC(F)(F)F)cc1)CC2
InChIInChI=1S/C28H27F3N4O3/c29-28(30,31)38-22-10-8-19(9-11-22)17-34-13-12-25-24(18-34)26(33-35(25)14-15-36)27(37)32-16-21-6-3-5-20-4-1-2-7-23(20)21/h1-11,36H,12-18H2,(H,32,37)
InChIKeyZHFMZLSCXCPLAX-UHFFFAOYSA-N
XLogP4.42
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.54
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 118933284) is 1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NCc1cccc2ccccc12)c1nn(CCO)c2c1CN(Cc1ccc(OC(F)(F)F)cc1)CC2.
What is the InChIKey of 1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is ZHFMZLSCXCPLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N4O3/c29-28(30,31)38-22-10-8-19(9-11-22)17-34-13-12-25-24(18-34)26(33-35(25)14-15-36)27(37)32-16-21-6-3-5-20-4-1-2-7-23(20)21/h1-11,36H,12-18H2,(H,32,37).
What are the key properties of 1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 524.54 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118933284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).