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

C26H26F3N5O2 — CID 11317974

IUPAC1-(4-methoxyphenyl)-6-[4-(piperidine-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)N1CCCCC1
InChIInChI=1S/C26H26F3N5O2/c1-36-20-11-9-19(10-12-20)34-22-21(23(31-34)26(27,28)29)13-16-33(25(22)35)18-7-5-17(6-8-18)24(30)32-14-3-2-4-15-32/h5-12,30H,2-4,13-16H2,1H3/b30-24-
InChIKeyISXUQHGRQAHVOK-KRUMMXJUSA-N
MW497.52 g/mol
LogP4.91
Rot. Bonds4

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

1-(4-methoxyphenyl)-6-[4-(piperidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 11317974) has the molecular formula C26H26F3N5O2 and a molecular weight of 497.52 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-(piperidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-[4-(piperidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID11317974
Molecular FormulaC26H26F3N5O2
Molecular Weight497.52 g/mol
Exact Mass497.20
IUPAC Name1-(4-methoxyphenyl)-6-[4-(piperidine-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)N1CCCCC1
InChIInChI=1S/C26H26F3N5O2/c1-36-20-11-9-19(10-12-20)34-22-21(23(31-34)26(27,28)29)13-16-33(25(22)35)18-7-5-17(6-8-18)24(30)32-14-3-2-4-15-32/h5-12,30H,2-4,13-16H2,1H3/b30-24-
InChIKeyISXUQHGRQAHVOK-KRUMMXJUSA-N
XLogP4.91
TPSA74.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.52
LogP ≤ 54.91
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-(piperidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 1-(4-methoxyphenyl)-6-[4-(piperidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 11317974) is 1-(4-methoxyphenyl)-6-[4-(piperidine-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-(piperidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 1-(4-methoxyphenyl)-6-[4-(piperidine-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)N1CCCCC1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-[4-(piperidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is ISXUQHGRQAHVOK-KRUMMXJUSA-N. The full InChI is InChI=1S/C26H26F3N5O2/c1-36-20-11-9-19(10-12-20)34-22-21(23(31-34)26(27,28)29)13-16-33(25(22)35)18-7-5-17(6-8-18)24(30)32-14-3-2-4-15-32/h5-12,30H,2-4,13-16H2,1H3/b30-24-.
What are the key properties of 1-(4-methoxyphenyl)-6-[4-(piperidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
1-(4-methoxyphenyl)-6-[4-(piperidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 497.52 g/mol, XLogP of 4.91, 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-(piperidine-1-carboximidoyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 11317974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).