5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C20H18ClF3N6O2 — CID 168818836

IUPAC5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCNC(=O)c1nn(Cc2ccccc2C(F)(F)F)c2c1CN(c1cn[nH]c(=O)c1Cl)CC2
InChIInChI=1S/C20H18ClF3N6O2/c1-25-19(32)17-12-10-29(15-8-26-27-18(31)16(15)21)7-6-14(12)30(28-17)9-11-4-2-3-5-13(11)20(22,23)24/h2-5,8H,6-7,9-10H2,1H3,(H,25,32)(H,27,31)
InChIKeyUSJMCHJLQHIQNI-UHFFFAOYSA-N
MW466.85 g/mol
LogP2.61
Rot. Bonds4

About 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 168818836) has the molecular formula C20H18ClF3N6O2 and a molecular weight of 466.85 g/mol. Its IUPAC name is 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID168818836
Molecular FormulaC20H18ClF3N6O2
Molecular Weight466.85 g/mol
Exact Mass466.11
IUPAC Name5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCNC(=O)c1nn(Cc2ccccc2C(F)(F)F)c2c1CN(c1cn[nH]c(=O)c1Cl)CC2
InChIInChI=1S/C20H18ClF3N6O2/c1-25-19(32)17-12-10-29(15-8-26-27-18(31)16(15)21)7-6-14(12)30(28-17)9-11-4-2-3-5-13(11)20(22,23)24/h2-5,8H,6-7,9-10H2,1H3,(H,25,32)(H,27,31)
InChIKeyUSJMCHJLQHIQNI-UHFFFAOYSA-N
XLogP2.61
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.85
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 168818836) is 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CNC(=O)c1nn(Cc2ccccc2C(F)(F)F)c2c1CN(c1cn[nH]c(=O)c1Cl)CC2.
What is the InChIKey of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is USJMCHJLQHIQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N6O2/c1-25-19(32)17-12-10-29(15-8-26-27-18(31)16(15)21)7-6-14(12)30(28-17)9-11-4-2-3-5-13(11)20(22,23)24/h2-5,8H,6-7,9-10H2,1H3,(H,25,32)(H,27,31).
What are the key properties of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 466.85 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 168818836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).