4-[4-[[4-acetyl-2-(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one

C23H20F3N3O4 — CID 163216679

IUPAC4-[4-[[4-acetyl-2-(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cc(C2CC(=O)Nc3[nH]ncc32)ccc1OCc1ccc(C(C)=O)cc1C(F)(F)F
InChIInChI=1S/C23H20F3N3O4/c1-12(30)13-3-4-15(18(7-13)23(24,25)26)11-33-19-6-5-14(8-20(19)32-2)16-9-21(31)28-22-17(16)10-27-29-22/h3-8,10,16H,9,11H2,1-2H3,(H2,27,28,29,31)
InChIKeyRQNAGACDVZRQDN-UHFFFAOYSA-N
MW459.42 g/mol
LogP4.69
Rot. Bonds6

About 4-[4-[[4-acetyl-2-(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one

4-[4-[[4-acetyl-2-(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (PubChem CID 163216679) has the molecular formula C23H20F3N3O4 and a molecular weight of 459.42 g/mol. Its IUPAC name is 4-[4-[[4-acetyl-2-(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-[4-[[4-acetyl-2-(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
PubChem CID163216679
Molecular FormulaC23H20F3N3O4
Molecular Weight459.42 g/mol
Exact Mass459.14
IUPAC Name4-[4-[[4-acetyl-2-(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cc(C2CC(=O)Nc3[nH]ncc32)ccc1OCc1ccc(C(C)=O)cc1C(F)(F)F
InChIInChI=1S/C23H20F3N3O4/c1-12(30)13-3-4-15(18(7-13)23(24,25)26)11-33-19-6-5-14(8-20(19)32-2)16-9-21(31)28-22-17(16)10-27-29-22/h3-8,10,16H,9,11H2,1-2H3,(H2,27,28,29,31)
InChIKeyRQNAGACDVZRQDN-UHFFFAOYSA-N
XLogP4.69
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-methoxy-4-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]methyl]-N,N-dimethyl-3-(trifluoromethyl)benzamide
CID 163216676
4-[3-methoxy-4-[[4-methoxy-2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 163216618
4-[4-[[4-(2-hydroxy-2-methylpropyl)-2-(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 163216572
4-[4-[[2,4-bis(trifluoromethyl)phenoxy]methyl]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 163216649
4-[3-methoxy-4-[[4-propan-2-yl-2-(trifluoromethyl)phenoxy]methyl]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 155466414
methyl 2-[[2-methoxy-4-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]methyl]benzoate
CID 163216602
4-[3-chloro-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 158540547
4-[3-fluoro-5-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 163216576
7-[4-[[4-(2-hydroxyethyl)-2-(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-1,4,6,7-tetrahydropyrazolo[4,5-b]pyridin-5-one
CID 163216624
4-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 163216555
4-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-N,N-dimethyl-6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridine-5-carboxamide
CID 167209482
(4S)-4-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135902867

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-acetyl-2-(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-[4-[[4-acetyl-2-(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (CID 163216679) is 4-[4-[[4-acetyl-2-(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-[4-[[4-acetyl-2-(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-[4-[[4-acetyl-2-(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is COc1cc(C2CC(=O)Nc3[nH]ncc32)ccc1OCc1ccc(C(C)=O)cc1C(F)(F)F.
What is the InChIKey of 4-[4-[[4-acetyl-2-(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The InChIKey is RQNAGACDVZRQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O4/c1-12(30)13-3-4-15(18(7-13)23(24,25)26)11-33-19-6-5-14(8-20(19)32-2)16-9-21(31)28-22-17(16)10-27-29-22/h3-8,10,16H,9,11H2,1-2H3,(H2,27,28,29,31).
What are the key properties of 4-[4-[[4-acetyl-2-(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
4-[4-[[4-acetyl-2-(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one has a molecular weight of 459.42 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-acetyl-2-(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 163216679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).