5-(2-fluoropropan-2-yl)-N-[4-[(1R,3S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrazin-2-amine

C18H21FN4O — CID 145007787

IUPAC5-(2-fluoropropan-2-yl)-N-[4-[(1R,3S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrazin-2-amine
SMILESCC(C)(F)c1cnc(Nc2ccc([C@@H]3O[C@H]4CNC3C4)cc2)cn1
InChIInChI=1S/C18H21FN4O/c1-18(2,19)15-9-22-16(10-21-15)23-12-5-3-11(4-6-12)17-14-7-13(24-17)8-20-14/h3-6,9-10,13-14,17,20H,7-8H2,1-2H3,(H,22,23)/t13-,14?,17+/m1/s1
InChIKeyZGXOVSNVFMIZJV-HFIQTRLSSA-N
MW328.39 g/mol
LogP3.23
Rot. Bonds4

About 5-(2-fluoropropan-2-yl)-N-[4-[(1R,3S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrazin-2-amine

5-(2-fluoropropan-2-yl)-N-[4-[(1R,3S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrazin-2-amine (PubChem CID 145007787) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)-N-[4-[(1R,3S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(2-fluoropropan-2-yl)-N-[4-[(1R,3S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrazin-2-amine
PubChem CID145007787
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name5-(2-fluoropropan-2-yl)-N-[4-[(1R,3S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrazin-2-amine
SMILESCC(C)(F)c1cnc(Nc2ccc([C@@H]3O[C@H]4CNC3C4)cc2)cn1
InChIInChI=1S/C18H21FN4O/c1-18(2,19)15-9-22-16(10-21-15)23-12-5-3-11(4-6-12)17-14-7-13(24-17)8-20-14/h3-6,9-10,13-14,17,20H,7-8H2,1-2H3,(H,22,23)/t13-,14?,17+/m1/s1
InChIKeyZGXOVSNVFMIZJV-HFIQTRLSSA-N
XLogP3.23
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2-fluoropropan-2-yl)-N-[4-[(1R,3S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrazin-2-amine 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

N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-3-yl)phenyl]-6-(trifluoromethyl)pyridin-3-amine
CID 145007788
6-ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide;N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 162200597
2-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 158279010
(1S,3R,4S)-3-[4-[5-(trifluoromethyl)-2H-pyridin-1-yl]phenyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 150696154
4-(cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide
CID 118695720
N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 134447217
N-[[(2S,4S)-4,5-dimethylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 70227072
N-(2,6-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 82812384
N-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109274017
5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 10657722
5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
CID 511956
5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279384

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoropropan-2-yl)-N-[4-[(1R,3S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrazin-2-amine?
The IUPAC name of 5-(2-fluoropropan-2-yl)-N-[4-[(1R,3S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrazin-2-amine (CID 145007787) is 5-(2-fluoropropan-2-yl)-N-[4-[(1R,3S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-(2-fluoropropan-2-yl)-N-[4-[(1R,3S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrazin-2-amine?
The canonical SMILES for 5-(2-fluoropropan-2-yl)-N-[4-[(1R,3S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrazin-2-amine is CC(C)(F)c1cnc(Nc2ccc([C@@H]3O[C@H]4CNC3C4)cc2)cn1.
What is the InChIKey of 5-(2-fluoropropan-2-yl)-N-[4-[(1R,3S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrazin-2-amine?
The InChIKey is ZGXOVSNVFMIZJV-HFIQTRLSSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-18(2,19)15-9-22-16(10-21-15)23-12-5-3-11(4-6-12)17-14-7-13(24-17)8-20-14/h3-6,9-10,13-14,17,20H,7-8H2,1-2H3,(H,22,23)/t13-,14?,17+/m1/s1.
What are the key properties of 5-(2-fluoropropan-2-yl)-N-[4-[(1R,3S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrazin-2-amine?
5-(2-fluoropropan-2-yl)-N-[4-[(1R,3S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrazin-2-amine has a molecular weight of 328.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropan-2-yl)-N-[4-[(1R,3S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrazin-2-amine is sourced from PubChem (CID 145007787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).