(4R)-3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C14H13F3N4O2 — CID 11955201

IUPAC(4R)-3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(C2=NNC(=O)C[C@H]2C)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C14H13F3N4O2/c1-7-5-11(22)18-19-13(7)8-3-4-12(23-2)21-9(8)6-10(20-21)14(15,16)17/h3-4,6-7H,5H2,1-2H3,(H,18,22)/t7-/m1/s1
InChIKeyIDPCPRHAKGSESY-SSDOTTSWSA-N
MW326.28 g/mol
LogP2.22
Rot. Bonds2

About (4R)-3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

(4R)-3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 11955201) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is (4R)-3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name(4R)-3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID11955201
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name(4R)-3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(C2=NNC(=O)C[C@H]2C)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C14H13F3N4O2/c1-7-5-11(22)18-19-13(7)8-3-4-12(23-2)21-9(8)6-10(20-21)14(15,16)17/h3-4,6-7H,5H2,1-2H3,(H,18,22)/t7-/m1/s1
InChIKeyIDPCPRHAKGSESY-SSDOTTSWSA-N
XLogP2.22
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-methyl-3,4-dihydroisoquinolin-1-one
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CID 137377989
7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 24798187
1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]propan-1-ol
CID 59389385
4-[5-(2-hydroxyoxaborolan-4-yl)-3-pyridinyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 171049123
2-[4-[3-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)-2-fluorophenoxy]butyl]-5-methyl-6-[7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4,5-dihydropyridazin-3-one
CID 143639716
(4R)-3-[4-[3,5-bis(trifluoromethyl)anilino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 171679025
3-[3-chloro-4-hydroxy-2-(methoxymethoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 137378025
(4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 71576736
3-methoxy-N-(2-methoxyethyl)-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
CID 70392561
3-[2-hydroxy-4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 137377976
2-[4-[2,3-difluoro-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-6-[7-methoxy-2-(trifluoromethyl)-1-benzofuran-4-yl]pyridazin-3-one
CID 59376551

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of (4R)-3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 11955201) is (4R)-3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for (4R)-3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for (4R)-3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is COc1ccc(C2=NNC(=O)C[C@H]2C)c2cc(C(F)(F)F)nn12.
What is the InChIKey of (4R)-3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is IDPCPRHAKGSESY-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c1-7-5-11(22)18-19-13(7)8-3-4-12(23-2)21-9(8)6-10(20-21)14(15,16)17/h3-4,6-7H,5H2,1-2H3,(H,18,22)/t7-/m1/s1.
What are the key properties of (4R)-3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
(4R)-3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 326.28 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 11955201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).