[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

C20H15F3N6O — CID 146515629

IUPAC[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
SMILESCn1nc2c(c1-c1cc(F)c(F)c(F)c1)CCN(C(=O)c1ccnc3[nH]ncc13)C2
InChIInChI=1S/C20H15F3N6O/c1-28-18(10-6-14(21)17(23)15(22)7-10)12-3-5-29(9-16(12)27-28)20(30)11-2-4-24-19-13(11)8-25-26-19/h2,4,6-8H,3,5,9H2,1H3,(H,24,25,26)
InChIKeyUUKPAHUYAQJLSV-UHFFFAOYSA-N
MW412.38 g/mol
LogP2.97
Rot. Bonds2

About [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

[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 (PubChem CID 146515629) has the molecular formula C20H15F3N6O and a molecular weight of 412.38 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID146515629
Molecular FormulaC20H15F3N6O
Molecular Weight412.38 g/mol
Exact Mass412.13
IUPAC Name[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
SMILESCn1nc2c(c1-c1cc(F)c(F)c(F)c1)CCN(C(=O)c1ccnc3[nH]ncc13)C2
InChIInChI=1S/C20H15F3N6O/c1-28-18(10-6-14(21)17(23)15(22)7-10)12-3-5-29(9-16(12)27-28)20(30)11-2-4-24-19-13(11)8-25-26-19/h2,4,6-8H,3,5,9H2,1H3,(H,24,25,26)
InChIKeyUUKPAHUYAQJLSV-UHFFFAOYSA-N
XLogP2.97
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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]-(1H-pyrazolo[3,4-b]pyridin-4-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

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
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-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-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
(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-methylindol-7-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146516245
(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
(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
cinnolin-3-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515546
[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
(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
[5-(methoxymethyl)-3-pyridinyl]-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515863

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]-(1H-pyrazolo[3,4-b]pyridin-4-yl)methanone?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cn1nc2c(c1-c1cc(F)c(F)c(F)c1)CCN(C(=O)c1ccnc3[nH]ncc13)C2.
What is the InChIKey of [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?
The InChIKey is UUKPAHUYAQJLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O/c1-28-18(10-6-14(21)17(23)15(22)7-10)12-3-5-29(9-16(12)27-28)20(30)11-2-4-24-19-13(11)8-25-26-19/h2,4,6-8H,3,5,9H2,1H3,(H,24,25,26).
What are the key properties of [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?
[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 has a molecular weight of 412.38 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 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]-(1H-pyrazolo[3,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 146515629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).