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

C14H13F3N4O2 — CID 11955200

IUPAC(4S)-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-/m0/s1
InChIKeyIDPCPRHAKGSESY-ZETCQYMHSA-N
MW326.28 g/mol
LogP2.22
Rot. Bonds2

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

(4S)-3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 11955200) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is (4S)-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(4S)-3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID11955200
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name(4S)-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-/m0/s1
InChIKeyIDPCPRHAKGSESY-ZETCQYMHSA-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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Frequently Asked Questions

What is the IUPAC name of (4S)-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 (4S)-3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 11955200) is (4S)-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 (4S)-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 (4S)-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 (4S)-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-ZETCQYMHSA-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-/m0/s1.
What are the key properties of (4S)-3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
(4S)-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 (4S)-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 11955200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).