5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-2-(2-methyl-4-pyridinyl)pyridin-3-ol

C24H18F2N6O — CID 155478922

IUPAC5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-2-(2-methyl-4-pyridinyl)pyridin-3-ol
SMILESCc1cc(-c2ncc(CNc3nccn4c(-c5cc(F)cc(F)c5)cnc34)cc2O)ccn1
InChIInChI=1S/C24H18F2N6O/c1-14-6-16(2-3-27-14)22-21(33)7-15(11-29-22)12-30-23-24-31-13-20(32(24)5-4-28-23)17-8-18(25)10-19(26)9-17/h2-11,13,33H,12H2,1H3,(H,28,30)
InChIKeyCHIUBZUNAUQIOO-UHFFFAOYSA-N
MW444.45 g/mol
LogP4.76
Rot. Bonds5

About 5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-2-(2-methyl-4-pyridinyl)pyridin-3-ol

5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-2-(2-methyl-4-pyridinyl)pyridin-3-ol (PubChem CID 155478922) has the molecular formula C24H18F2N6O and a molecular weight of 444.45 g/mol. Its IUPAC name is 5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-2-(2-methyl-4-pyridinyl)pyridin-3-ol.

Molecular Properties

Compound Name5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-2-(2-methyl-4-pyridinyl)pyridin-3-ol
PubChem CID155478922
Molecular FormulaC24H18F2N6O
Molecular Weight444.45 g/mol
Exact Mass444.15
IUPAC Name5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-2-(2-methyl-4-pyridinyl)pyridin-3-ol
SMILESCc1cc(-c2ncc(CNc3nccn4c(-c5cc(F)cc(F)c5)cnc34)cc2O)ccn1
InChIInChI=1S/C24H18F2N6O/c1-14-6-16(2-3-27-14)22-21(33)7-15(11-29-22)12-30-23-24-31-13-20(32(24)5-4-28-23)17-8-18(25)10-19(26)9-17/h2-11,13,33H,12H2,1H3,(H,28,30)
InChIKeyCHIUBZUNAUQIOO-UHFFFAOYSA-N
XLogP4.76
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-2-(2-methyl-4-pyridinyl)pyridin-3-ol with MolForge

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Related Compounds

methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate
CID 155478844
N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-3-piperidin-4-ylimidazo[1,2-a]pyrazin-8-amine
CID 155478426
3-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 46241678
N-[(4-fluorophenyl)methyl]-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 126475158
3-(4-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 126472520
5-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyridine-2-sulfonamide
CID 135998296
2-methoxy-5-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 143766243
4-(5-chloro-3-pyridinyl)-3-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridin-2-amine
CID 129033326
4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzaldehyde;methanol
CID 143766220
(2Z,4E)-4-[5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyrazin-2-yl]-5-(dimethylamino)penta-2,4-dienal
CID 170269973
5-fluoro-4-methyl-6-(2-methyl-4-pyridinyl)pyridin-3-ol
CID 136983593
1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
CID 126473351

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-2-(2-methyl-4-pyridinyl)pyridin-3-ol?
The IUPAC name of 5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-2-(2-methyl-4-pyridinyl)pyridin-3-ol (CID 155478922) is 5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-2-(2-methyl-4-pyridinyl)pyridin-3-ol.
What is the SMILES notation for 5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-2-(2-methyl-4-pyridinyl)pyridin-3-ol?
The canonical SMILES for 5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-2-(2-methyl-4-pyridinyl)pyridin-3-ol is Cc1cc(-c2ncc(CNc3nccn4c(-c5cc(F)cc(F)c5)cnc34)cc2O)ccn1.
What is the InChIKey of 5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-2-(2-methyl-4-pyridinyl)pyridin-3-ol?
The InChIKey is CHIUBZUNAUQIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N6O/c1-14-6-16(2-3-27-14)22-21(33)7-15(11-29-22)12-30-23-24-31-13-20(32(24)5-4-28-23)17-8-18(25)10-19(26)9-17/h2-11,13,33H,12H2,1H3,(H,28,30).
What are the key properties of 5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-2-(2-methyl-4-pyridinyl)pyridin-3-ol?
5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-2-(2-methyl-4-pyridinyl)pyridin-3-ol has a molecular weight of 444.45 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-2-(2-methyl-4-pyridinyl)pyridin-3-ol is sourced from PubChem (CID 155478922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).