[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone

C23H21F3N4O — CID 146515945

IUPAC[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone
SMILESCn1nc2c(c1-c1cc(F)c(F)c(F)c1)CCN(C(=O)c1cccc3c1CNCC3)C2
InChIInChI=1S/C23H21F3N4O/c1-29-22(14-9-18(24)21(26)19(25)10-14)16-6-8-30(12-20(16)28-29)23(31)15-4-2-3-13-5-7-27-11-17(13)15/h2-4,9-10,27H,5-8,11-12H2,1H3
InChIKeyRMZARPGQEMEUOZ-UHFFFAOYSA-N
MW426.44 g/mol
LogP3.35
Rot. Bonds2

About [2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone

[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone (PubChem CID 146515945) has the molecular formula C23H21F3N4O and a molecular weight of 426.44 g/mol. Its IUPAC name is [2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone.

Molecular Properties

Compound Name[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone
PubChem CID146515945
Molecular FormulaC23H21F3N4O
Molecular Weight426.44 g/mol
Exact Mass426.17
IUPAC Name[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone
SMILESCn1nc2c(c1-c1cc(F)c(F)c(F)c1)CCN(C(=O)c1cccc3c1CNCC3)C2
InChIInChI=1S/C23H21F3N4O/c1-29-22(14-9-18(24)21(26)19(25)10-14)16-6-8-30(12-20(16)28-29)23(31)15-4-2-3-13-5-7-27-11-17(13)15/h2-4,9-10,27H,5-8,11-12H2,1H3
InChIKeyRMZARPGQEMEUOZ-UHFFFAOYSA-N
XLogP3.35
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone with MolForge

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Related Compounds

(1-methylindol-7-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146516245
(1-methylindazol-7-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515494
(2-chloro-3-methoxyphenyl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515459
6,8-dihydro-5H-pyrano[3,4-b]pyridin-4-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146516327
(5-methylimidazo[1,2-a]pyridin-3-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515745
[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1H-pyrazolo[3,4-b]pyridin-4-yl)methanone
CID 146515629
cinnolin-3-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515546
(3-methylimidazo[1,5-a]pyridin-6-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515616
(1-methyl-4-phenylimidazol-2-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146516336
3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515949
[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515717
[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515545

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone?
The IUPAC name of [2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone (CID 146515945) is [2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone.
What is the SMILES notation for [2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone?
The canonical SMILES for [2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone is Cn1nc2c(c1-c1cc(F)c(F)c(F)c1)CCN(C(=O)c1cccc3c1CNCC3)C2.
What is the InChIKey of [2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone?
The InChIKey is RMZARPGQEMEUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O/c1-29-22(14-9-18(24)21(26)19(25)10-14)16-6-8-30(12-20(16)28-29)23(31)15-4-2-3-13-5-7-27-11-17(13)15/h2-4,9-10,27H,5-8,11-12H2,1H3.
What are the key properties of [2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone?
[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone has a molecular weight of 426.44 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone is sourced from PubChem (CID 146515945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).