2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one

C24H19F2N5O — CID 153495987

IUPAC2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one
SMILESCC#Cc1cncc(-c2cccc(C3(c4cccc(C(F)F)n4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C24H19F2N5O/c1-3-6-15-11-17(14-28-13-15)16-7-4-8-18(12-16)24(22(32)31(2)23(27)30-24)20-10-5-9-19(29-20)21(25)26/h4-5,7-14,21H,1-2H3,(H2,27,30)
InChIKeyLNUQWDMXTMOGSM-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.48
Rot. Bonds4

About 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one

2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one (PubChem CID 153495987) has the molecular formula C24H19F2N5O and a molecular weight of 431.45 g/mol. Its IUPAC name is 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one
PubChem CID153495987
Molecular FormulaC24H19F2N5O
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one
SMILESCC#Cc1cncc(-c2cccc(C3(c4cccc(C(F)F)n4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C24H19F2N5O/c1-3-6-15-11-17(14-28-13-15)16-7-4-8-18(12-16)24(22(32)31(2)23(27)30-24)20-10-5-9-19(29-20)21(25)26/h4-5,7-14,21H,1-2H3,(H2,27,30)
InChIKeyLNUQWDMXTMOGSM-UHFFFAOYSA-N
XLogP3.48
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one?
The IUPAC name of 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one (CID 153495987) is 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one is CC#Cc1cncc(-c2cccc(C3(c4cccc(C(F)F)n4)N=C(N)N(C)C3=O)c2)c1.
What is the InChIKey of 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one?
The InChIKey is LNUQWDMXTMOGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O/c1-3-6-15-11-17(14-28-13-15)16-7-4-8-18(12-16)24(22(32)31(2)23(27)30-24)20-10-5-9-19(29-20)21(25)26/h4-5,7-14,21H,1-2H3,(H2,27,30).
What are the key properties of 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one?
2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one has a molecular weight of 431.45 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one is sourced from PubChem (CID 153495987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).