1-(4-methoxyphenyl)-6-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C25H24F3N5O2 — CID 11488564

IUPAC1-(4-methoxyphenyl)-6-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILES[H]/N=C(/c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc(OC)cc4)c3C2=O)cc1)N1CCCC1
InChIInChI=1S/C25H24F3N5O2/c1-35-19-10-8-18(9-11-19)33-21-20(22(30-33)25(26,27)28)12-15-32(24(21)34)17-6-4-16(5-7-17)23(29)31-13-2-3-14-31/h4-11,29H,2-3,12-15H2,1H3/b29-23-
InChIKeyJVABWQIQSNYGPV-FAJYDZGRSA-N
MW483.49 g/mol
LogP4.52
Rot. Bonds4

About 1-(4-methoxyphenyl)-6-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

1-(4-methoxyphenyl)-6-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 11488564) has the molecular formula C25H24F3N5O2 and a molecular weight of 483.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID11488564
Molecular FormulaC25H24F3N5O2
Molecular Weight483.49 g/mol
Exact Mass483.19
IUPAC Name1-(4-methoxyphenyl)-6-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILES[H]/N=C(/c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc(OC)cc4)c3C2=O)cc1)N1CCCC1
InChIInChI=1S/C25H24F3N5O2/c1-35-19-10-8-18(9-11-19)33-21-20(22(30-33)25(26,27)28)12-15-32(24(21)34)17-6-4-16(5-7-17)23(29)31-13-2-3-14-31/h4-11,29H,2-3,12-15H2,1H3/b29-23-
InChIKeyJVABWQIQSNYGPV-FAJYDZGRSA-N
XLogP4.52
TPSA74.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 1-(4-methoxyphenyl)-6-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 1-(4-methoxyphenyl)-6-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 11488564) is 1-(4-methoxyphenyl)-6-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-6-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 1-(4-methoxyphenyl)-6-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is [H]/N=C(/c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc(OC)cc4)c3C2=O)cc1)N1CCCC1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is JVABWQIQSNYGPV-FAJYDZGRSA-N. The full InChI is InChI=1S/C25H24F3N5O2/c1-35-19-10-8-18(9-11-19)33-21-20(22(30-33)25(26,27)28)12-15-32(24(21)34)17-6-4-16(5-7-17)23(29)31-13-2-3-14-31/h4-11,29H,2-3,12-15H2,1H3/b29-23-.
What are the key properties of 1-(4-methoxyphenyl)-6-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
1-(4-methoxyphenyl)-6-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 483.49 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-[4-(pyrrolidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 11488564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).