[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone;N-[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropanamide

C42H38F5N9O3 — CID 157462638

IUPAC[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone;N-[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncccc1-c1ccc(-c2cnc(N)cn2)c(F)c1.Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCOC(C(F)(F)F)C3)cc2F)cn1
InChIInChI=1S/C22H18F4N4O2.C20H20FN5O/c23-17-9-13(5-6-16(17)18-10-29-20(27)11-28-18)14-3-1-2-4-15(14)21(31)30-7-8-32-19(12-30)22(24,25)26;1-20(2,3)19(27)26-18-13(5-4-8-23-18)12-6-7-14(15(21)9-12)16-10-25-17(22)11-24-16/h1-6,9-11,19H,7-8,12H2,(H2,27,29);4-11H,1-3H3,(H2,22,25)(H,23,26,27)
InChIKeyBUCLCBAHDUGZAO-UHFFFAOYSA-N
MW811.82 g/mol
LogP7.85
Rot. Bonds6

About [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone;N-[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropanamide

[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone;N-[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 157462638) has the molecular formula C42H38F5N9O3 and a molecular weight of 811.82 g/mol. Its IUPAC name is [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone;N-[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone;N-[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID157462638
Molecular FormulaC42H38F5N9O3
Molecular Weight811.82 g/mol
Exact Mass811.30
IUPAC Name[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone;N-[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncccc1-c1ccc(-c2cnc(N)cn2)c(F)c1.Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCOC(C(F)(F)F)C3)cc2F)cn1
InChIInChI=1S/C22H18F4N4O2.C20H20FN5O/c23-17-9-13(5-6-16(17)18-10-29-20(27)11-28-18)14-3-1-2-4-15(14)21(31)30-7-8-32-19(12-30)22(24,25)26;1-20(2,3)19(27)26-18-13(5-4-8-23-18)12-6-7-14(15(21)9-12)16-10-25-17(22)11-24-16/h1-6,9-11,19H,7-8,12H2,(H2,27,29);4-11H,1-3H3,(H2,22,25)(H,23,26,27)
InChIKeyBUCLCBAHDUGZAO-UHFFFAOYSA-N
XLogP7.85
TPSA175.13 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.82
LogP ≤ 57.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone;N-[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone
CID 138712237
N-[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]-3-[6-(2,2-dimethylpropanoylamino)-5-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-2,2-dimethylpropanamide
CID 137395984
[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 90313535
tert-butyl 3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]pyrrolidine-1-carboxylate
CID 90314275
[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 138711638
3-amino-6-[2-fluoro-4-[2-(morpholine-4-carbonyl)phenyl]phenyl]pyrazine-2-carbonitrile
CID 90313146
3-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 90314370
CID 90319937
CID 90319937
5-[2-fluoro-4-[2-(oxan-4-ylsulfonyl)-3-pyridinyl]phenyl]pyrazin-2-amine;hydrochloride
CID 90315188
[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-pyrrolidin-1-ylmethanone
CID 123963220
(2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62170253
2-[4-[[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]sulfonyl]piperidin-1-yl]ethanol
CID 90329838

Frequently Asked Questions

What is the IUPAC name of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone;N-[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone;N-[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropanamide (CID 157462638) is [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone;N-[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone;N-[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone;N-[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ncccc1-c1ccc(-c2cnc(N)cn2)c(F)c1.Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCOC(C(F)(F)F)C3)cc2F)cn1.
What is the InChIKey of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone;N-[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is BUCLCBAHDUGZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N4O2.C20H20FN5O/c23-17-9-13(5-6-16(17)18-10-29-20(27)11-28-18)14-3-1-2-4-15(14)21(31)30-7-8-32-19(12-30)22(24,25)26;1-20(2,3)19(27)26-18-13(5-4-8-23-18)12-6-7-14(15(21)9-12)16-10-25-17(22)11-24-16/h1-6,9-11,19H,7-8,12H2,(H2,27,29);4-11H,1-3H3,(H2,22,25)(H,23,26,27).
What are the key properties of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone;N-[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropanamide?
[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone;N-[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 811.82 g/mol, XLogP of 7.85, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone;N-[3-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 157462638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).