[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone;2,2,2-trifluoroacetic acid

C24H23F3N4O3 — CID 129316104

IUPAC[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone;2,2,2-trifluoroacetic acid
SMILESCc1nc(-c2cc(C3=CCCN(C(=O)c4ccccc4)C3)ccn2)[nH]c1C.O=C(O)C(F)(F)F
InChIInChI=1S/C22H22N4O.C2HF3O2/c1-15-16(2)25-21(24-15)20-13-18(10-11-23-20)19-9-6-12-26(14-19)22(27)17-7-4-3-5-8-17;3-2(4,5)1(6)7/h3-5,7-11,13H,6,12,14H2,1-2H3,(H,24,25);(H,6,7)
InChIKeyYERJMRRFZQUUSN-UHFFFAOYSA-N
MW472.47 g/mol
LogP4.65
Rot. Bonds3

About [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone;2,2,2-trifluoroacetic acid

[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 129316104) has the molecular formula C24H23F3N4O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone;2,2,2-trifluoroacetic acid
PubChem CID129316104
Molecular FormulaC24H23F3N4O3
Molecular Weight472.47 g/mol
Exact Mass472.17
IUPAC Name[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone;2,2,2-trifluoroacetic acid
SMILESCc1nc(-c2cc(C3=CCCN(C(=O)c4ccccc4)C3)ccn2)[nH]c1C.O=C(O)C(F)(F)F
InChIInChI=1S/C22H22N4O.C2HF3O2/c1-15-16(2)25-21(24-15)20-13-18(10-11-23-20)19-9-6-12-26(14-19)22(27)17-7-4-3-5-8-17;3-2(4,5)1(6)7/h3-5,7-11,13H,6,12,14H2,1-2H3,(H,24,25);(H,6,7)
InChIKeyYERJMRRFZQUUSN-UHFFFAOYSA-N
XLogP4.65
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone;2,2,2-trifluoroacetic acid (CID 129316104) is [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone;2,2,2-trifluoroacetic acid is Cc1nc(-c2cc(C3=CCCN(C(=O)c4ccccc4)C3)ccn2)[nH]c1C.O=C(O)C(F)(F)F.
What is the InChIKey of [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is YERJMRRFZQUUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O.C2HF3O2/c1-15-16(2)25-21(24-15)20-13-18(10-11-23-20)19-9-6-12-26(14-19)22(27)17-7-4-3-5-8-17;3-2(4,5)1(6)7/h3-5,7-11,13H,6,12,14H2,1-2H3,(H,24,25);(H,6,7).
What are the key properties of [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone;2,2,2-trifluoroacetic acid?
[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 472.47 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 129316104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).