2-[5-[8-[(3-ethenylphenyl)methylamino]-3-fluoro-7-methyl-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol

C25H24FN5O — CID 145244529

IUPAC2-[5-[8-[(3-ethenylphenyl)methylamino]-3-fluoro-7-methyl-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol
SMILESC=Cc1cccc(CNc2c(C)cnc3cc(F)c(-c4cnc(C(C)(C)O)nc4)nc23)c1
InChIInChI=1S/C25H24FN5O/c1-5-16-7-6-8-17(9-16)12-28-21-15(2)11-27-20-10-19(26)22(31-23(20)21)18-13-29-24(30-14-18)25(3,4)32/h5-11,13-14,32H,1,12H2,2-4H3,(H,27,28)
InChIKeyDMNZSOGBHXEJNG-UHFFFAOYSA-N
MW429.50 g/mol
LogP5.02
Rot. Bonds6

About 2-[5-[8-[(3-ethenylphenyl)methylamino]-3-fluoro-7-methyl-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol

2-[5-[8-[(3-ethenylphenyl)methylamino]-3-fluoro-7-methyl-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol (PubChem CID 145244529) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-[5-[8-[(3-ethenylphenyl)methylamino]-3-fluoro-7-methyl-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[8-[(3-ethenylphenyl)methylamino]-3-fluoro-7-methyl-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol
PubChem CID145244529
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC Name2-[5-[8-[(3-ethenylphenyl)methylamino]-3-fluoro-7-methyl-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol
SMILESC=Cc1cccc(CNc2c(C)cnc3cc(F)c(-c4cnc(C(C)(C)O)nc4)nc23)c1
InChIInChI=1S/C25H24FN5O/c1-5-16-7-6-8-17(9-16)12-28-21-15(2)11-27-20-10-19(26)22(31-23(20)21)18-13-29-24(30-14-18)25(3,4)32/h5-11,13-14,32H,1,12H2,2-4H3,(H,27,28)
InChIKeyDMNZSOGBHXEJNG-UHFFFAOYSA-N
XLogP5.02
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-[8-[(3-ethenylphenyl)methylamino]-3-fluoro-7-methyl-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol 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

1-[3-[1-[[3-chloro-7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,5-naphthyridin-4-yl]amino]ethyl]phenyl]ethane-1,2-diol
CID 135286512
2-[5-[7-chloro-8-[(2,2-difluoro-1-phenylethyl)amino]-3-fluoro-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol
CID 126531272
1-[3-[(1R)-1-[[3-chloro-7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]-4-fluorophenyl]ethane-1,2-diol
CID 126531141
2-[5-[7-chloro-8-[1-(2-fluorophenyl)ethylamino]-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol
CID 162646703
[4-[3-[(3-ethenylphenyl)methylamino]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone
CID 66914391
2-fluoro-6-[[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]benzoic acid
CID 68979150
2-[5-[3-chloro-4-[[(1R)-1-[2-fluoro-5-(2-methylphenyl)phenyl]ethyl]amino]-2-methylquinolin-6-yl]pyrimidin-2-yl]propan-2-ol
CID 126531528
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547419
N-[(1R)-1-[3-(difluoromethyl)phenyl]ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2,3-dimethyl-1,5-naphthyridin-4-amine
CID 170619357
2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63644666
2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62121783
N-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777289

Frequently Asked Questions

What is the IUPAC name of 2-[5-[8-[(3-ethenylphenyl)methylamino]-3-fluoro-7-methyl-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[8-[(3-ethenylphenyl)methylamino]-3-fluoro-7-methyl-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol (CID 145244529) is 2-[5-[8-[(3-ethenylphenyl)methylamino]-3-fluoro-7-methyl-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[8-[(3-ethenylphenyl)methylamino]-3-fluoro-7-methyl-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[8-[(3-ethenylphenyl)methylamino]-3-fluoro-7-methyl-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol is C=Cc1cccc(CNc2c(C)cnc3cc(F)c(-c4cnc(C(C)(C)O)nc4)nc23)c1.
What is the InChIKey of 2-[5-[8-[(3-ethenylphenyl)methylamino]-3-fluoro-7-methyl-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol?
The InChIKey is DMNZSOGBHXEJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O/c1-5-16-7-6-8-17(9-16)12-28-21-15(2)11-27-20-10-19(26)22(31-23(20)21)18-13-29-24(30-14-18)25(3,4)32/h5-11,13-14,32H,1,12H2,2-4H3,(H,27,28).
What are the key properties of 2-[5-[8-[(3-ethenylphenyl)methylamino]-3-fluoro-7-methyl-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol?
2-[5-[8-[(3-ethenylphenyl)methylamino]-3-fluoro-7-methyl-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol has a molecular weight of 429.50 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[8-[(3-ethenylphenyl)methylamino]-3-fluoro-7-methyl-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol is sourced from PubChem (CID 145244529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).