[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone

C26H26F3N5O2 — CID 170126042

IUPAC[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCCC1Cc2c(nn(C)c2-c2cc(F)c(F)c(F)c2)C(CC)N1C(=O)c1cnn2cccc(OC)c12
InChIInChI=1S/C26H26F3N5O2/c1-5-15-12-16-23(31-32(3)24(16)14-10-18(27)22(29)19(28)11-14)20(6-2)34(15)26(35)17-13-30-33-9-7-8-21(36-4)25(17)33/h7-11,13,15,20H,5-6,12H2,1-4H3
InChIKeyASQHCKZBKNELRI-UHFFFAOYSA-N
MW497.52 g/mol
LogP5.09
Rot. Bonds5

About [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone

[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 170126042) has the molecular formula C26H26F3N5O2 and a molecular weight of 497.52 g/mol. Its IUPAC name is [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID170126042
Molecular FormulaC26H26F3N5O2
Molecular Weight497.52 g/mol
Exact Mass497.20
IUPAC Name[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCCC1Cc2c(nn(C)c2-c2cc(F)c(F)c(F)c2)C(CC)N1C(=O)c1cnn2cccc(OC)c12
InChIInChI=1S/C26H26F3N5O2/c1-5-15-12-16-23(31-32(3)24(16)14-10-18(27)22(29)19(28)11-14)20(6-2)34(15)26(35)17-13-30-33-9-7-8-21(36-4)25(17)33/h7-11,13,15,20H,5-6,12H2,1-4H3
InChIKeyASQHCKZBKNELRI-UHFFFAOYSA-N
XLogP5.09
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.52
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone (CID 170126042) is [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone.
What is the SMILES notation for [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone is CCC1Cc2c(nn(C)c2-c2cc(F)c(F)c(F)c2)C(CC)N1C(=O)c1cnn2cccc(OC)c12.
What is the InChIKey of [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is ASQHCKZBKNELRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O2/c1-5-15-12-16-23(31-32(3)24(16)14-10-18(27)22(29)19(28)11-14)20(6-2)34(15)26(35)17-13-30-33-9-7-8-21(36-4)25(17)33/h7-11,13,15,20H,5-6,12H2,1-4H3.
What are the key properties of [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone?
[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 497.52 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 170126042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).