[4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-methoxy-5-phenyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid

C25H25F3N4O4 — CID 155411279

IUPAC[4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-methoxy-5-phenyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
SMILESCOc1cc(C(=O)N2CCC(c3ccc(N)nc3)CC2)ncc1-c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H24N4O2.C2HF3O2/c1-29-21-13-20(25-15-19(21)17-5-3-2-4-6-17)23(28)27-11-9-16(10-12-27)18-7-8-22(24)26-14-18;3-2(4,5)1(6)7/h2-8,13-16H,9-12H2,1H3,(H2,24,26);(H,6,7)
InChIKeyYVQZXTNGYZMYGL-UHFFFAOYSA-N
MW502.49 g/mol
LogP4.39
Rot. Bonds4

About [4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-methoxy-5-phenyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid

[4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-methoxy-5-phenyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155411279) has the molecular formula C25H25F3N4O4 and a molecular weight of 502.49 g/mol. Its IUPAC name is [4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-methoxy-5-phenyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-methoxy-5-phenyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155411279
Molecular FormulaC25H25F3N4O4
Molecular Weight502.49 g/mol
Exact Mass502.18
IUPAC Name[4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-methoxy-5-phenyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
SMILESCOc1cc(C(=O)N2CCC(c3ccc(N)nc3)CC2)ncc1-c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H24N4O2.C2HF3O2/c1-29-21-13-20(25-15-19(21)17-5-3-2-4-6-17)23(28)27-11-9-16(10-12-27)18-7-8-22(24)26-14-18;3-2(4,5)1(6)7/h2-8,13-16H,9-12H2,1H3,(H2,24,26);(H,6,7)
InChIKeyYVQZXTNGYZMYGL-UHFFFAOYSA-N
XLogP4.39
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.49
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-methoxy-5-phenyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenyl)-2-pyridinyl]methanone
CID 139424753
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-2-pyridinyl]methanone
CID 139424826
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-methoxy-2-pyridinyl]methanone
CID 139424842
[4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 139416324
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone
CID 138674755
(5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 81310359
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenoxy)-2-pyridinyl]methanone
CID 138674698
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-[2-(6-amino-3-pyridinyl)ethynyl]phenyl]methanone;tris(2,2,2-trifluoroacetic acid)
CID 159822835
[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[5-[(4-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]methanone
CID 138675009
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[2-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 139424769
[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-(1,3,3-trifluoro-2-methylpropoxy)-2-pyridinyl]methanone
CID 175421877
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120689077

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-methoxy-5-phenyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-methoxy-5-phenyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid (CID 155411279) is [4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-methoxy-5-phenyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-methoxy-5-phenyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-methoxy-5-phenyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid is COc1cc(C(=O)N2CCC(c3ccc(N)nc3)CC2)ncc1-c1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of [4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-methoxy-5-phenyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is YVQZXTNGYZMYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2.C2HF3O2/c1-29-21-13-20(25-15-19(21)17-5-3-2-4-6-17)23(28)27-11-9-16(10-12-27)18-7-8-22(24)26-14-18;3-2(4,5)1(6)7/h2-8,13-16H,9-12H2,1H3,(H2,24,26);(H,6,7).
What are the key properties of [4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-methoxy-5-phenyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid?
[4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-methoxy-5-phenyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 502.49 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-methoxy-5-phenyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155411279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).