(4-imidazol-1-ylphenyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;2,2,2-trifluoroacetic acid

C24H20F3N5O3 — CID 154886956

IUPAC(4-imidazol-1-ylphenyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1ccc(-n2ccnc2)cc1)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C22H19N5O.C2HF3O2/c28-22(17-6-8-18(9-7-17)27-13-11-23-15-27)26-12-10-20-19(14-26)21(25-24-20)16-4-2-1-3-5-16;3-2(4,5)1(6)7/h1-9,11,13,15H,10,12,14H2,(H,24,25);(H,6,7)
InChIKeyALAMJUHYEBOSSE-UHFFFAOYSA-N
MW483.45 g/mol
LogP4.09
Rot. Bonds3

About (4-imidazol-1-ylphenyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;2,2,2-trifluoroacetic acid

(4-imidazol-1-ylphenyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 154886956) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is (4-imidazol-1-ylphenyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(4-imidazol-1-ylphenyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID154886956
Molecular FormulaC24H20F3N5O3
Molecular Weight483.45 g/mol
Exact Mass483.15
IUPAC Name(4-imidazol-1-ylphenyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1ccc(-n2ccnc2)cc1)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C22H19N5O.C2HF3O2/c28-22(17-6-8-18(9-7-17)27-13-11-23-15-27)26-12-10-20-19(14-26)21(25-24-20)16-4-2-1-3-5-16;3-2(4,5)1(6)7/h1-9,11,13,15H,10,12,14H2,(H,24,25);(H,6,7)
InChIKeyALAMJUHYEBOSSE-UHFFFAOYSA-N
XLogP4.09
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-imidazol-1-ylphenyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

furan-3-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 53185455
(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-thiophen-3-ylmethanone
CID 42513893
(3-hydroxy-2-pyridinyl)-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 56870256
2-[4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]isoindole-1,3-dione
CID 108750167
(6-methoxy-3-pyridinyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 53185464
azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
(4-phenyl-1H-imidazol-5-yl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 56754225
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
(3-morpholin-4-ylphenyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 31074876
N,3-diphenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435107
(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 146045833
[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-3-pyridinyl)methanone
CID 46989048

Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylphenyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (4-imidazol-1-ylphenyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;2,2,2-trifluoroacetic acid (CID 154886956) is (4-imidazol-1-ylphenyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (4-imidazol-1-ylphenyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (4-imidazol-1-ylphenyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1ccc(-n2ccnc2)cc1)N1CCc2[nH]nc(-c3ccccc3)c2C1.
What is the InChIKey of (4-imidazol-1-ylphenyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is ALAMJUHYEBOSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O.C2HF3O2/c28-22(17-6-8-18(9-7-17)27-13-11-23-15-27)26-12-10-20-19(14-26)21(25-24-20)16-4-2-1-3-5-16;3-2(4,5)1(6)7/h1-9,11,13,15H,10,12,14H2,(H,24,25);(H,6,7).
What are the key properties of (4-imidazol-1-ylphenyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;2,2,2-trifluoroacetic acid?
(4-imidazol-1-ylphenyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 483.45 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylphenyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154886956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).