3-methyl-5-[(3-pyridin-3-ylphenyl)methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid

C21H21F3N4O2 — CID 166302005

IUPAC3-methyl-5-[(3-pyridin-3-ylphenyl)methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCc1[nH]nc2c1CN(Cc1cccc(-c3cccnc3)c1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C19H20N4.C2HF3O2/c1-14-18-13-23(9-7-19(18)22-21-14)12-15-4-2-5-16(10-15)17-6-3-8-20-11-17;3-2(4,5)1(6)7/h2-6,8,10-11H,7,9,12-13H2,1H3,(H,21,22);(H,6,7)
InChIKeyZMGIKVURBUMLNS-UHFFFAOYSA-N
MW418.42 g/mol
LogP3.97
Rot. Bonds3

About 3-methyl-5-[(3-pyridin-3-ylphenyl)methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid

3-methyl-5-[(3-pyridin-3-ylphenyl)methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 166302005) has the molecular formula C21H21F3N4O2 and a molecular weight of 418.42 g/mol. Its IUPAC name is 3-methyl-5-[(3-pyridin-3-ylphenyl)methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-methyl-5-[(3-pyridin-3-ylphenyl)methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
PubChem CID166302005
Molecular FormulaC21H21F3N4O2
Molecular Weight418.42 g/mol
Exact Mass418.16
IUPAC Name3-methyl-5-[(3-pyridin-3-ylphenyl)methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCc1[nH]nc2c1CN(Cc1cccc(-c3cccnc3)c1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C19H20N4.C2HF3O2/c1-14-18-13-23(9-7-19(18)22-21-14)12-15-4-2-5-16(10-15)17-6-3-8-20-11-17;3-2(4,5)1(6)7/h2-6,8,10-11H,7,9,12-13H2,1H3,(H,21,22);(H,6,7)
InChIKeyZMGIKVURBUMLNS-UHFFFAOYSA-N
XLogP3.97
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-[(3-pyridin-3-ylphenyl)methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

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CID 155865120
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3-pyridin-3-ylphenyl)methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-methyl-5-[(3-pyridin-3-ylphenyl)methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid (CID 166302005) is 3-methyl-5-[(3-pyridin-3-ylphenyl)methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-methyl-5-[(3-pyridin-3-ylphenyl)methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-methyl-5-[(3-pyridin-3-ylphenyl)methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid is Cc1[nH]nc2c1CN(Cc1cccc(-c3cccnc3)c1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of 3-methyl-5-[(3-pyridin-3-ylphenyl)methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is ZMGIKVURBUMLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4.C2HF3O2/c1-14-18-13-23(9-7-19(18)22-21-14)12-15-4-2-5-16(10-15)17-6-3-8-20-11-17;3-2(4,5)1(6)7/h2-6,8,10-11H,7,9,12-13H2,1H3,(H,21,22);(H,6,7).
What are the key properties of 3-methyl-5-[(3-pyridin-3-ylphenyl)methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
3-methyl-5-[(3-pyridin-3-ylphenyl)methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 418.42 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3-pyridin-3-ylphenyl)methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166302005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).