5-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylpentanimidamide

C21H26F3N5O2 — CID 10388364

IUPAC5-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylpentanimidamide
SMILES[H]/N=C(/CCCCN1CCc2c(C(F)(F)F)nn(-c3ccc(OC)cc3)c2C1=O)N(C)C
InChIInChI=1S/C21H26F3N5O2/c1-27(2)17(25)6-4-5-12-28-13-11-16-18(20(28)30)29(26-19(16)21(22,23)24)14-7-9-15(31-3)10-8-14/h7-10,25H,4-6,11-13H2,1-3H3/b25-17-
InChIKeyYLHXTURVXFCOFA-UQQQWYQISA-N
MW437.47 g/mol
LogP3.61
Rot. Bonds7

About 5-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylpentanimidamide

5-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylpentanimidamide (PubChem CID 10388364) has the molecular formula C21H26F3N5O2 and a molecular weight of 437.47 g/mol. Its IUPAC name is 5-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylpentanimidamide
PubChem CID10388364
Molecular FormulaC21H26F3N5O2
Molecular Weight437.47 g/mol
Exact Mass437.20
IUPAC Name5-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylpentanimidamide
SMILES[H]/N=C(/CCCCN1CCc2c(C(F)(F)F)nn(-c3ccc(OC)cc3)c2C1=O)N(C)C
InChIInChI=1S/C21H26F3N5O2/c1-27(2)17(25)6-4-5-12-28-13-11-16-18(20(28)30)29(26-19(16)21(22,23)24)14-7-9-15(31-3)10-8-14/h7-10,25H,4-6,11-13H2,1-3H3/b25-17-
InChIKeyYLHXTURVXFCOFA-UQQQWYQISA-N
XLogP3.61
TPSA74.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylpentanimidamide?
The IUPAC name of 5-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylpentanimidamide (CID 10388364) is 5-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylpentanimidamide.
What is the SMILES notation for 5-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylpentanimidamide?
The canonical SMILES for 5-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylpentanimidamide is [H]/N=C(/CCCCN1CCc2c(C(F)(F)F)nn(-c3ccc(OC)cc3)c2C1=O)N(C)C.
What is the InChIKey of 5-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylpentanimidamide?
The InChIKey is YLHXTURVXFCOFA-UQQQWYQISA-N. The full InChI is InChI=1S/C21H26F3N5O2/c1-27(2)17(25)6-4-5-12-28-13-11-16-18(20(28)30)29(26-19(16)21(22,23)24)14-7-9-15(31-3)10-8-14/h7-10,25H,4-6,11-13H2,1-3H3/b25-17-.
What are the key properties of 5-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylpentanimidamide?
5-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylpentanimidamide has a molecular weight of 437.47 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylpentanimidamide is sourced from PubChem (CID 10388364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).