5-ethyl-2-methyl-7-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbaldehyde

C28H28F3N5O — CID 163858404

IUPAC5-ethyl-2-methyl-7-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbaldehyde
SMILESCCC1Cc2c(nn(C)c2-c2cc(F)c(F)c(F)c2)C(CCc2cccc(-c3cnn(C)c3)c2)N1C=O
InChIInChI=1S/C28H28F3N5O/c1-4-21-13-22-27(33-35(3)28(22)19-11-23(29)26(31)24(30)12-19)25(36(21)16-37)9-8-17-6-5-7-18(10-17)20-14-32-34(2)15-20/h5-7,10-12,14-16,21,25H,4,8-9,13H2,1-3H3
InChIKeyPAJSHGMADDDQKR-UHFFFAOYSA-N
MW507.56 g/mol
LogP5.37
Rot. Bonds7

About 5-ethyl-2-methyl-7-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbaldehyde

5-ethyl-2-methyl-7-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbaldehyde (PubChem CID 163858404) has the molecular formula C28H28F3N5O and a molecular weight of 507.56 g/mol. Its IUPAC name is 5-ethyl-2-methyl-7-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-2-methyl-7-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbaldehyde
PubChem CID163858404
Molecular FormulaC28H28F3N5O
Molecular Weight507.56 g/mol
Exact Mass507.22
IUPAC Name5-ethyl-2-methyl-7-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbaldehyde
SMILESCCC1Cc2c(nn(C)c2-c2cc(F)c(F)c(F)c2)C(CCc2cccc(-c3cnn(C)c3)c2)N1C=O
InChIInChI=1S/C28H28F3N5O/c1-4-21-13-22-27(33-35(3)28(22)19-11-23(29)26(31)24(30)12-19)25(36(21)16-37)9-8-17-6-5-7-18(10-17)20-14-32-34(2)15-20/h5-7,10-12,14-16,21,25H,4,8-9,13H2,1-3H3
InChIKeyPAJSHGMADDDQKR-UHFFFAOYSA-N
XLogP5.37
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.56
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-ethyl-2-methyl-7-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-7-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbaldehyde?
The IUPAC name of 5-ethyl-2-methyl-7-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbaldehyde (CID 163858404) is 5-ethyl-2-methyl-7-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbaldehyde.
What is the SMILES notation for 5-ethyl-2-methyl-7-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbaldehyde?
The canonical SMILES for 5-ethyl-2-methyl-7-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbaldehyde is CCC1Cc2c(nn(C)c2-c2cc(F)c(F)c(F)c2)C(CCc2cccc(-c3cnn(C)c3)c2)N1C=O.
What is the InChIKey of 5-ethyl-2-methyl-7-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbaldehyde?
The InChIKey is PAJSHGMADDDQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N5O/c1-4-21-13-22-27(33-35(3)28(22)19-11-23(29)26(31)24(30)12-19)25(36(21)16-37)9-8-17-6-5-7-18(10-17)20-14-32-34(2)15-20/h5-7,10-12,14-16,21,25H,4,8-9,13H2,1-3H3.
What are the key properties of 5-ethyl-2-methyl-7-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbaldehyde?
5-ethyl-2-methyl-7-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbaldehyde has a molecular weight of 507.56 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-7-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbaldehyde is sourced from PubChem (CID 163858404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).