2-hydroxy-4-phenyl-3-[[2-(3-phenylpyrazol-1-yl)-3-pyridinyl]methylamino]butanoic acid

C25H24N4O3 — CID 67260907

IUPAC2-hydroxy-4-phenyl-3-[[2-(3-phenylpyrazol-1-yl)-3-pyridinyl]methylamino]butanoic acid
SMILESO=C(O)C(O)C(Cc1ccccc1)NCc1cccnc1-n1ccc(-c2ccccc2)n1
InChIInChI=1S/C25H24N4O3/c30-23(25(31)32)22(16-18-8-3-1-4-9-18)27-17-20-12-7-14-26-24(20)29-15-13-21(28-29)19-10-5-2-6-11-19/h1-15,22-23,27,30H,16-17H2,(H,31,32)
InChIKeyPPNMKVACHUNPED-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.08
Rot. Bonds9

About 2-hydroxy-4-phenyl-3-[[2-(3-phenylpyrazol-1-yl)-3-pyridinyl]methylamino]butanoic acid

2-hydroxy-4-phenyl-3-[[2-(3-phenylpyrazol-1-yl)-3-pyridinyl]methylamino]butanoic acid (PubChem CID 67260907) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-hydroxy-4-phenyl-3-[[2-(3-phenylpyrazol-1-yl)-3-pyridinyl]methylamino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-phenyl-3-[[2-(3-phenylpyrazol-1-yl)-3-pyridinyl]methylamino]butanoic acid
PubChem CID67260907
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name2-hydroxy-4-phenyl-3-[[2-(3-phenylpyrazol-1-yl)-3-pyridinyl]methylamino]butanoic acid
SMILESO=C(O)C(O)C(Cc1ccccc1)NCc1cccnc1-n1ccc(-c2ccccc2)n1
InChIInChI=1S/C25H24N4O3/c30-23(25(31)32)22(16-18-8-3-1-4-9-18)27-17-20-12-7-14-26-24(20)29-15-13-21(28-29)19-10-5-2-6-11-19/h1-15,22-23,27,30H,16-17H2,(H,31,32)
InChIKeyPPNMKVACHUNPED-UHFFFAOYSA-N
XLogP3.08
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-phenyl-3-[[2-(3-phenylpyrazol-1-yl)-3-pyridinyl]methylamino]butanoic acid?
The IUPAC name of 2-hydroxy-4-phenyl-3-[[2-(3-phenylpyrazol-1-yl)-3-pyridinyl]methylamino]butanoic acid (CID 67260907) is 2-hydroxy-4-phenyl-3-[[2-(3-phenylpyrazol-1-yl)-3-pyridinyl]methylamino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-phenyl-3-[[2-(3-phenylpyrazol-1-yl)-3-pyridinyl]methylamino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-phenyl-3-[[2-(3-phenylpyrazol-1-yl)-3-pyridinyl]methylamino]butanoic acid is O=C(O)C(O)C(Cc1ccccc1)NCc1cccnc1-n1ccc(-c2ccccc2)n1.
What is the InChIKey of 2-hydroxy-4-phenyl-3-[[2-(3-phenylpyrazol-1-yl)-3-pyridinyl]methylamino]butanoic acid?
The InChIKey is PPNMKVACHUNPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c30-23(25(31)32)22(16-18-8-3-1-4-9-18)27-17-20-12-7-14-26-24(20)29-15-13-21(28-29)19-10-5-2-6-11-19/h1-15,22-23,27,30H,16-17H2,(H,31,32).
What are the key properties of 2-hydroxy-4-phenyl-3-[[2-(3-phenylpyrazol-1-yl)-3-pyridinyl]methylamino]butanoic acid?
2-hydroxy-4-phenyl-3-[[2-(3-phenylpyrazol-1-yl)-3-pyridinyl]methylamino]butanoic acid has a molecular weight of 428.49 g/mol, XLogP of 3.08, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-phenyl-3-[[2-(3-phenylpyrazol-1-yl)-3-pyridinyl]methylamino]butanoic acid is sourced from PubChem (CID 67260907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).