(2,6-difluorophenyl)-[[5-[2-(methoxymethyl)-2,6-dimethylchromen-4-yl]pyrazin-2-yl]amino]methanol

C24H23F2N3O3 — CID 123934573

IUPAC(2,6-difluorophenyl)-[[5-[2-(methoxymethyl)-2,6-dimethylchromen-4-yl]pyrazin-2-yl]amino]methanol
SMILESCOCC1(C)C=C(c2cnc(NC(O)c3c(F)cccc3F)cn2)c2cc(C)ccc2O1
InChIInChI=1S/C24H23F2N3O3/c1-14-7-8-20-15(9-14)16(10-24(2,32-20)13-31-3)19-11-28-21(12-27-19)29-23(30)22-17(25)5-4-6-18(22)26/h4-12,23,30H,13H2,1-3H3,(H,28,29)
InChIKeyKFZJMJHRQJKJGX-UHFFFAOYSA-N
MW439.46 g/mol
LogP4.40
Rot. Bonds6

About (2,6-difluorophenyl)-[[5-[2-(methoxymethyl)-2,6-dimethylchromen-4-yl]pyrazin-2-yl]amino]methanol

(2,6-difluorophenyl)-[[5-[2-(methoxymethyl)-2,6-dimethylchromen-4-yl]pyrazin-2-yl]amino]methanol (PubChem CID 123934573) has the molecular formula C24H23F2N3O3 and a molecular weight of 439.46 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[[5-[2-(methoxymethyl)-2,6-dimethylchromen-4-yl]pyrazin-2-yl]amino]methanol.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[[5-[2-(methoxymethyl)-2,6-dimethylchromen-4-yl]pyrazin-2-yl]amino]methanol
PubChem CID123934573
Molecular FormulaC24H23F2N3O3
Molecular Weight439.46 g/mol
Exact Mass439.17
IUPAC Name(2,6-difluorophenyl)-[[5-[2-(methoxymethyl)-2,6-dimethylchromen-4-yl]pyrazin-2-yl]amino]methanol
SMILESCOCC1(C)C=C(c2cnc(NC(O)c3c(F)cccc3F)cn2)c2cc(C)ccc2O1
InChIInChI=1S/C24H23F2N3O3/c1-14-7-8-20-15(9-14)16(10-24(2,32-20)13-31-3)19-11-28-21(12-27-19)29-23(30)22-17(25)5-4-6-18(22)26/h4-12,23,30H,13H2,1-3H3,(H,28,29)
InChIKeyKFZJMJHRQJKJGX-UHFFFAOYSA-N
XLogP4.40
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2,6-difluorophenyl)-[[5-[2-(methoxymethyl)-2,6-dimethylchromen-4-yl]pyrazin-2-yl]amino]methanol 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

(1R)-2-[[6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
CID 44204535
4-[6-[1-(3-Fluorophenyl)butylamino]pyrazin-2-yl]-2-methoxyphenol
CID 135401124
2-N,5-N-bis[(4-ethoxyphenyl)methyl]pyridine-2,5-diamine
CID 134155421
4-[6-[1-(4-Fluorophenyl)butylamino]pyrazin-2-yl]-2-methoxyphenol
CID 136123484
2-[2-[4-(5-Aminopyrazin-2-yl)-3-fluorophenyl]phenoxy]ethanol
CID 90313622
2-[[3-(2-Phenoxyphenyl)pyrazin-2-yl]amino]butan-1-ol
CID 45489004
6-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 69274655
2-[[6-(5-Isopropyl-2-methoxy-phenyl)pyrazin-2-yl]amino]butan-1-ol
CID 126672862
6-(4-ethoxyphenyl)-N-propylpyrazin-2-amine
CID 65642385
2-[[6-(4-Fluoro-2-methoxyphenyl)pyrazin-2-yl]amino]-2-phenylethanol
CID 164628976
6-(2-methoxy-5-propan-2-ylphenyl)-N-[(1R)-1-phenylethyl]pyrazin-2-amine
CID 172433227
3-(2-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazin-2-amine
CID 172433251

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[[5-[2-(methoxymethyl)-2,6-dimethylchromen-4-yl]pyrazin-2-yl]amino]methanol?
The IUPAC name of (2,6-difluorophenyl)-[[5-[2-(methoxymethyl)-2,6-dimethylchromen-4-yl]pyrazin-2-yl]amino]methanol (CID 123934573) is (2,6-difluorophenyl)-[[5-[2-(methoxymethyl)-2,6-dimethylchromen-4-yl]pyrazin-2-yl]amino]methanol.
What is the SMILES notation for (2,6-difluorophenyl)-[[5-[2-(methoxymethyl)-2,6-dimethylchromen-4-yl]pyrazin-2-yl]amino]methanol?
The canonical SMILES for (2,6-difluorophenyl)-[[5-[2-(methoxymethyl)-2,6-dimethylchromen-4-yl]pyrazin-2-yl]amino]methanol is COCC1(C)C=C(c2cnc(NC(O)c3c(F)cccc3F)cn2)c2cc(C)ccc2O1.
What is the InChIKey of (2,6-difluorophenyl)-[[5-[2-(methoxymethyl)-2,6-dimethylchromen-4-yl]pyrazin-2-yl]amino]methanol?
The InChIKey is KFZJMJHRQJKJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O3/c1-14-7-8-20-15(9-14)16(10-24(2,32-20)13-31-3)19-11-28-21(12-27-19)29-23(30)22-17(25)5-4-6-18(22)26/h4-12,23,30H,13H2,1-3H3,(H,28,29).
What are the key properties of (2,6-difluorophenyl)-[[5-[2-(methoxymethyl)-2,6-dimethylchromen-4-yl]pyrazin-2-yl]amino]methanol?
(2,6-difluorophenyl)-[[5-[2-(methoxymethyl)-2,6-dimethylchromen-4-yl]pyrazin-2-yl]amino]methanol has a molecular weight of 439.46 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[[5-[2-(methoxymethyl)-2,6-dimethylchromen-4-yl]pyrazin-2-yl]amino]methanol is sourced from PubChem (CID 123934573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).