3-[2-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-1-(2-fluoroethyl)-5-phenylpyridin-4-one

C30H25F2N5O2 — CID 159496690

IUPAC3-[2-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-1-(2-fluoroethyl)-5-phenylpyridin-4-one
SMILESCn1cc(-c2cnc(N)c(-c3ccc(CC(=O)c4cn(CCF)cc(-c5ccccc5)c4=O)cc3F)c2)cn1
InChIInChI=1S/C30H25F2N5O2/c1-36-16-22(15-35-36)21-13-24(30(33)34-14-21)23-8-7-19(11-27(23)32)12-28(38)26-18-37(10-9-31)17-25(29(26)39)20-5-3-2-4-6-20/h2-8,11,13-18H,9-10,12H2,1H3,(H2,33,34)
InChIKeyLYWHTHPQHXVWET-UHFFFAOYSA-N
MW525.56 g/mol
LogP5.09
Rot. Bonds8

About 3-[2-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-1-(2-fluoroethyl)-5-phenylpyridin-4-one

3-[2-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-1-(2-fluoroethyl)-5-phenylpyridin-4-one (PubChem CID 159496690) has the molecular formula C30H25F2N5O2 and a molecular weight of 525.56 g/mol. Its IUPAC name is 3-[2-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-1-(2-fluoroethyl)-5-phenylpyridin-4-one.

Molecular Properties

Compound Name3-[2-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-1-(2-fluoroethyl)-5-phenylpyridin-4-one
PubChem CID159496690
Molecular FormulaC30H25F2N5O2
Molecular Weight525.56 g/mol
Exact Mass525.20
IUPAC Name3-[2-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-1-(2-fluoroethyl)-5-phenylpyridin-4-one
SMILESCn1cc(-c2cnc(N)c(-c3ccc(CC(=O)c4cn(CCF)cc(-c5ccccc5)c4=O)cc3F)c2)cn1
InChIInChI=1S/C30H25F2N5O2/c1-36-16-22(15-35-36)21-13-24(30(33)34-14-21)23-8-7-19(11-27(23)32)12-28(38)26-18-37(10-9-31)17-25(29(26)39)20-5-3-2-4-6-20/h2-8,11,13-18H,9-10,12H2,1H3,(H2,33,34)
InChIKeyLYWHTHPQHXVWET-UHFFFAOYSA-N
XLogP5.09
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.56
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-1-(2-fluoroethyl)-5-phenylpyridin-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

Related Compounds

3-[2-[4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]phenyl]acetyl]-5-phenyl-1-(2,2,2-trifluoroethyl)pyridin-4-one
CID 159794622
3-[2-[4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]-3-fluorophenyl]acetyl]-1-(oxan-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-4-one
CID 158166502
4-[[3-[2-[4-[2-amino-5-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]-3-fluorophenyl]acetyl]-5-(4-methylphenyl)-4-oxo-1-pyridinyl]methyl]oxane-4-carbonitrile
CID 157307929
3-[2-[6-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]-3-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one
CID 161136772
3-[2-[6-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one
CID 160698229
4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide
CID 118046103
3-[2-[4-[2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]phenyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one;methanesulfonic acid
CID 159732855
N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129110694
3-[2-[4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]phenyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one
CID 147745828
N-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid
CID 129110647
2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2-phenylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
CID 126644350
3-[2-[4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]phenyl]acetyl]-5-(4-bromophenyl)-1-(oxan-4-ylmethyl)pyridin-4-one
CID 157265802

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-1-(2-fluoroethyl)-5-phenylpyridin-4-one?
The IUPAC name of 3-[2-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-1-(2-fluoroethyl)-5-phenylpyridin-4-one (CID 159496690) is 3-[2-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-1-(2-fluoroethyl)-5-phenylpyridin-4-one.
What is the SMILES notation for 3-[2-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-1-(2-fluoroethyl)-5-phenylpyridin-4-one?
The canonical SMILES for 3-[2-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-1-(2-fluoroethyl)-5-phenylpyridin-4-one is Cn1cc(-c2cnc(N)c(-c3ccc(CC(=O)c4cn(CCF)cc(-c5ccccc5)c4=O)cc3F)c2)cn1.
What is the InChIKey of 3-[2-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-1-(2-fluoroethyl)-5-phenylpyridin-4-one?
The InChIKey is LYWHTHPQHXVWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F2N5O2/c1-36-16-22(15-35-36)21-13-24(30(33)34-14-21)23-8-7-19(11-27(23)32)12-28(38)26-18-37(10-9-31)17-25(29(26)39)20-5-3-2-4-6-20/h2-8,11,13-18H,9-10,12H2,1H3,(H2,33,34).
What are the key properties of 3-[2-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-1-(2-fluoroethyl)-5-phenylpyridin-4-one?
3-[2-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-1-(2-fluoroethyl)-5-phenylpyridin-4-one has a molecular weight of 525.56 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-1-(2-fluoroethyl)-5-phenylpyridin-4-one is sourced from PubChem (CID 159496690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).